Piperazines

Organic heterocyclic compounds that consist of a six-membered ring with four carbon atoms and two nitrogen atoms at opposite positions in the ring.

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Thermo Scientific Chemicals HEPES sodium salt, 99%

CAS: 75277-39-3 Molecular Formula: C8H17N2NaO4S Molecular Weight (g/mol): 260.28 MDL Number: MFCD00036463 InChI Key: RDZTWEVXRGYCFV-UHFFFAOYSA-M Synonym: hepes sodium salt,hepes hemisodium salt,sodium 2-4-2-hydroxyethyl piperazin-1-yl ethanesulfonate,unii-z9fto91o8a,1-piperazineethanesulfonic acid, 4-2-hydroxyethyl-, monosodium salt,z9fto91o8a,sodium 4-2-hydroxyethyl piperazin-1-ylethanesulphonate,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid sodium salt,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid hemisodium salt PubChem CID: 2724248 ChEBI: CHEBI:46758 SMILES: [Na+].OCCN1CCN(CCS([O-])(=O)=O)CC1

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PubChem CID	2724248
CAS	75277-39-3
Molecular Weight (g/mol)	260.28
ChEBI	CHEBI:46758
MDL Number	MFCD00036463
SMILES	[Na+].OCCN1CCN(CCS([O-])(=O)=O)CC1
Synonym	hepes sodium salt,hepes hemisodium salt,sodium 2-4-2-hydroxyethyl piperazin-1-yl ethanesulfonate,unii-z9fto91o8a,1-piperazineethanesulfonic acid, 4-2-hydroxyethyl-, monosodium salt,z9fto91o8a,sodium 4-2-hydroxyethyl piperazin-1-ylethanesulphonate,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid sodium salt,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid hemisodium salt
InChI Key	RDZTWEVXRGYCFV-UHFFFAOYSA-M
Molecular Formula	C8H17N2NaO4S

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4-(1-Piperazinyl)aniline, 95%

CAS: 67455-41-8 Molecular Formula: C10H15N3 Molecular Weight (g/mol): 177.25 MDL Number: MFCD01365906 InChI Key: VAVOYRCCWLRTMS-UHFFFAOYSA-N Synonym: 4-piperazin-1-yl aniline,1-4-aminophenyl piperazine,4-piperazinoaniline,4-piperazin-1-yl-phenylamine,4-1-piperazinyl aniline,benzenamine,4-1-piperazinyl,4-piperazinylphenylamine,benzenamine, 4-1-piperazinyl,4-piperazin-1-ylphenylamine,1-p-aminophenyl piperazine PubChem CID: 422925 IUPAC Name: 4-piperazin-1-ylaniline SMILES: NC1=CC=C(C=C1)N1CCNCC1

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PubChem CID	422925
CAS	67455-41-8
Molecular Weight (g/mol)	177.25
MDL Number	MFCD01365906
SMILES	NC1=CC=C(C=C1)N1CCNCC1
Synonym	4-piperazin-1-yl aniline,1-4-aminophenyl piperazine,4-piperazinoaniline,4-piperazin-1-yl-phenylamine,4-1-piperazinyl aniline,benzenamine,4-1-piperazinyl,4-piperazinylphenylamine,benzenamine, 4-1-piperazinyl,4-piperazin-1-ylphenylamine,1-p-aminophenyl piperazine
IUPAC Name	4-piperazin-1-ylaniline
InChI Key	VAVOYRCCWLRTMS-UHFFFAOYSA-N
Molecular Formula	C10H15N3

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4-(1-Piperazinyl)indole, 95%

CAS: 84807-09-0 Molecular Formula: C12H15N3 Molecular Weight (g/mol): 201.273 MDL Number: MFCD00831776 InChI Key: YZKSXUIOKWQABW-UHFFFAOYSA-N Synonym: 4-1-piperazinyl-1h-indole,4-piperazin-1-yl-1h-indole,4-piperazino-1h-indole,1h-indole, 4-1-piperazinyl,4-piperazino indole,1-4-indolyl piperazine,1h-indole-4-1-piperazinyl dihydrochloride,4-piperazinoindole,4-piperazino-indole,pubchem22668 PubChem CID: 594590 IUPAC Name: 4-piperazin-1-yl-1H-indole SMILES: C1CN(CCN1)C2=CC=CC3=C2C=CN3

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PubChem CID	594590
CAS	84807-09-0
Molecular Weight (g/mol)	201.273
MDL Number	MFCD00831776
SMILES	C1CN(CCN1)C2=CC=CC3=C2C=CN3
Synonym	4-1-piperazinyl-1h-indole,4-piperazin-1-yl-1h-indole,4-piperazino-1h-indole,1h-indole, 4-1-piperazinyl,4-piperazino indole,1-4-indolyl piperazine,1h-indole-4-1-piperazinyl dihydrochloride,4-piperazinoindole,4-piperazino-indole,pubchem22668
IUPAC Name	4-piperazin-1-yl-1H-indole
InChI Key	YZKSXUIOKWQABW-UHFFFAOYSA-N
Molecular Formula	C12H15N3

Terazosin hydrochloride dihydrate, 98%, Thermo Scientific Chemicals

CAS: 70024-40-7 Molecular Formula: ClH·₂H₂O Molecular Weight (g/mol): 459.92 InChI Key: NZMOFYDMGFQZLS-UHFFFAOYSA-N Synonym: terazosin hydrochloride dihydrate,magnurol,dysalfa,flotrin,heitrin,hytrine,adecur,deflox,urodie,hytrin PubChem CID: 63016 ChEBI: CHEBI:9446 IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone;dihydrate;hydrochloride SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC.O.O.Cl

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PubChem CID	63016
CAS	70024-40-7
Molecular Weight (g/mol)	459.92
ChEBI	CHEBI:9446
SMILES	COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC.O.O.Cl
Synonym	terazosin hydrochloride dihydrate,magnurol,dysalfa,flotrin,heitrin,hytrine,adecur,deflox,urodie,hytrin
IUPAC Name	[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone;dihydrate;hydrochloride
InChI Key	NZMOFYDMGFQZLS-UHFFFAOYSA-N
Molecular Formula	ClH·₂H₂O

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4-(6-Amino-3-pyridyl)-1-Boc-piperazine, 97%

CAS: 571188-59-5 Molecular Formula: C14H22N4O2 Molecular Weight (g/mol): 278.36 MDL Number: MFCD11594962 InChI Key: RMULRXHUNOVPEI-UHFFFAOYSA-N PubChem CID: 11737525 IUPAC Name: tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=CN=C(N)C=C1

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Specifications

PubChem CID	11737525
CAS	571188-59-5
Molecular Weight (g/mol)	278.36
MDL Number	MFCD11594962
SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C1=CN=C(N)C=C1
IUPAC Name	tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate
InChI Key	RMULRXHUNOVPEI-UHFFFAOYSA-N
Molecular Formula	C14H22N4O2

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1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate), 98+%

CAS: 140681-55-6 Molecular Formula: C7H14B2ClF9N2 Molecular Weight (g/mol): 354.26 MDL Number: MFCD00142607 InChI Key: TXRPHPUGYLSHCX-UHFFFAOYSA-N Synonym: selectfluor,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane bis tetrafluoroborate,f-teda-bf4,1-chloromethyl-4-fluoro-1,4-diazabicyclo 2.2.2 octane-1,4-diium tetrafluoroborate,unii-4p1za6r76d,selectfluor fluorinating reagent,f-teda,selectfluor r fluorinating reagent,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane ditetrafluoroborate PubChem CID: 2724933 IUPAC Name: 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate SMILES: F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CCl)(CC1)CC2

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PubChem CID	2724933
CAS	140681-55-6
Molecular Weight (g/mol)	354.26
MDL Number	MFCD00142607
SMILES	F[B-](F)(F)F.F[B-](F)(F)F.F[N+]12CC[N+](CCl)(CC1)CC2
Synonym	selectfluor,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane bis tetrafluoroborate,f-teda-bf4,1-chloromethyl-4-fluoro-1,4-diazabicyclo 2.2.2 octane-1,4-diium tetrafluoroborate,unii-4p1za6r76d,selectfluor fluorinating reagent,f-teda,selectfluor r fluorinating reagent,1-chloromethyl-4-fluoro-1,4-diazoniabicyclo 2.2.2 octane ditetrafluoroborate
IUPAC Name	1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate
InChI Key	TXRPHPUGYLSHCX-UHFFFAOYSA-N
Molecular Formula	C7H14B2ClF9N2

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1-Boc-3-oxopiperazine, 98%

CAS: 76003-29-7 Molecular Formula: C9H16N2O3 Molecular Weight (g/mol): 200.238 MDL Number: MFCD02181069 InChI Key: FCMLWBBLOASUSO-UHFFFAOYSA-N Synonym: 1-boc-3-oxopiperazine,4-n-boc-2-oxo-piperazine,4-boc-piperazinone,n-boc-3-oxopiperazine,3-oxo-piperazine-1-carboxylic acid tert-butyl ester,tert-butyl 3-oxo-1-piperazinecarboxylate,4-n-boc-piperazin-2-one,n-boc-piperazin-3-one,1-piperazinecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl-3-oxopiperazine PubChem CID: 3157178 IUPAC Name: tert-butyl 3-oxopiperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCNC(=O)C1

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Specifications

PubChem CID	3157178
CAS	76003-29-7
Molecular Weight (g/mol)	200.238
MDL Number	MFCD02181069
SMILES	CC(C)(C)OC(=O)N1CCNC(=O)C1
Synonym	1-boc-3-oxopiperazine,4-n-boc-2-oxo-piperazine,4-boc-piperazinone,n-boc-3-oxopiperazine,3-oxo-piperazine-1-carboxylic acid tert-butyl ester,tert-butyl 3-oxo-1-piperazinecarboxylate,4-n-boc-piperazin-2-one,n-boc-piperazin-3-one,1-piperazinecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl-3-oxopiperazine
IUPAC Name	tert-butyl 3-oxopiperazine-1-carboxylate
InChI Key	FCMLWBBLOASUSO-UHFFFAOYSA-N
Molecular Formula	C9H16N2O3

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(S)-1,4-Diazabicyclo[4.3.0]nonane, 98+%

CAS: 93643-24-4 Molecular Formula: C7H14N2 Molecular Weight (g/mol): 126.20 MDL Number: MFCD03787926 InChI Key: FTTATHOUSOIFOQ-SSDOTTSWSA-N Synonym: s-octahydropyrrolo 1,2-a pyrazine,s-1,4-diazabicyclo 4.3.0 nonane,8as-octahydropyrrolo 1,2-a pyrazine,8as-octahydropyrrolo 1,2-a piperazine,s-octahydro-pyrrolo 1,2-a pyrazine,6s-1,4-diazabicyclo 4.3.0 nonane,pyrrolo 1,2-a pyrazine, octahydro-, 8as,8as-1,2,3,4,6,7,8,8a-octahydropyrrolo 1,2-a pyrazine,pubchem20597,6s-1,4-diazabicyclo 4,3,0 nonane PubChem CID: 781249 SMILES: C1C[C@@H]2CNCCN2C1

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Specifications

PubChem CID	781249
CAS	93643-24-4
Molecular Weight (g/mol)	126.20
MDL Number	MFCD03787926
SMILES	C1C[C@@H]2CNCCN2C1
Synonym	s-octahydropyrrolo 1,2-a pyrazine,s-1,4-diazabicyclo 4.3.0 nonane,8as-octahydropyrrolo 1,2-a pyrazine,8as-octahydropyrrolo 1,2-a piperazine,s-octahydro-pyrrolo 1,2-a pyrazine,6s-1,4-diazabicyclo 4.3.0 nonane,pyrrolo 1,2-a pyrazine, octahydro-, 8as,8as-1,2,3,4,6,7,8,8a-octahydropyrrolo 1,2-a pyrazine,pubchem20597,6s-1,4-diazabicyclo 4,3,0 nonane
InChI Key	FTTATHOUSOIFOQ-SSDOTTSWSA-N
Molecular Formula	C7H14N2

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1-Allylpiperazine, 98+%

CAS: 13961-36-9 Molecular Formula: C7H14N2 Molecular Weight (g/mol): 126.203 MDL Number: MFCD00167970 InChI Key: ZWAQJGHGPPDZSF-UHFFFAOYSA-N Synonym: 1-allylpiperazine,1-allyl-piperazine,1-allyl piperazine,1-prop-2-en-1-yl piperazine,n-allyl piperazine,piperazine,1-2-propen-1-yl,prop-2-enylpiperazine,allylpiperazin,allylpiperazine,1-allylpiperazin PubChem CID: 806422 IUPAC Name: 1-prop-2-enylpiperazine SMILES: C=CCN1CCNCC1

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Specifications

PubChem CID	806422
CAS	13961-36-9
Molecular Weight (g/mol)	126.203
MDL Number	MFCD00167970
SMILES	C=CCN1CCNCC1
Synonym	1-allylpiperazine,1-allyl-piperazine,1-allyl piperazine,1-prop-2-en-1-yl piperazine,n-allyl piperazine,piperazine,1-2-propen-1-yl,prop-2-enylpiperazine,allylpiperazin,allylpiperazine,1-allylpiperazin
IUPAC Name	1-prop-2-enylpiperazine
InChI Key	ZWAQJGHGPPDZSF-UHFFFAOYSA-N
Molecular Formula	C7H14N2

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1,4-Diethylpiperazine, 98%

CAS: 6483-50-7 Molecular Formula: C8H18N2 Molecular Weight (g/mol): 142.246 MDL Number: MFCD00126900 InChI Key: DDPRYTUJYNYJKV-UHFFFAOYSA-N PubChem CID: 80973 IUPAC Name: 1,4-diethylpiperazine SMILES: CCN1CCN(CC1)CC

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Specifications

PubChem CID	80973
CAS	6483-50-7
Molecular Weight (g/mol)	142.246
MDL Number	MFCD00126900
SMILES	CCN1CCN(CC1)CC
IUPAC Name	1,4-diethylpiperazine
InChI Key	DDPRYTUJYNYJKV-UHFFFAOYSA-N
Molecular Formula	C8H18N2

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(R)-1,4-Diazabicyclo[4.3.0]nonane, 97%

CAS: 96193-27-0 Molecular Formula: C7H14N2 Molecular Weight (g/mol): 126.203 MDL Number: MFCD09752820 InChI Key: FTTATHOUSOIFOQ-SSDOTTSWSA-N Synonym: r-octahydropyrrolo 1,2-a pyrazine,r-1,4-diazabicyclo 4.3.0 nonane,8ar-octahydropyrrolo 1,2-a pyrazine,r-octahydro-pyrrolo 1,2-a pyrazine,8ar-octahydropyrrolo 1,2-a piperazine,r-1,4-diazobicyclo 4.3.0 nonane,6r-1,4-diazabicyclo 4.3.0 nonane,pyrrolo 1,2-a pyrazine, octahydro-, 8ar-9ci,pyrrolo 1,2-a pyrazine, octahydro-, r,pyrrolo 1,2-a pyrazine, octahydro-, 8ar PubChem CID: 7004239 IUPAC Name: (8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine SMILES: C1CC2CNCCN2C1

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Specifications

PubChem CID	7004239
CAS	96193-27-0
Molecular Weight (g/mol)	126.203
MDL Number	MFCD09752820
SMILES	C1CC2CNCCN2C1
Synonym	r-octahydropyrrolo 1,2-a pyrazine,r-1,4-diazabicyclo 4.3.0 nonane,8ar-octahydropyrrolo 1,2-a pyrazine,r-octahydro-pyrrolo 1,2-a pyrazine,8ar-octahydropyrrolo 1,2-a piperazine,r-1,4-diazobicyclo 4.3.0 nonane,6r-1,4-diazabicyclo 4.3.0 nonane,pyrrolo 1,2-a pyrazine, octahydro-, 8ar-9ci,pyrrolo 1,2-a pyrazine, octahydro-, r,pyrrolo 1,2-a pyrazine, octahydro-, 8ar
IUPAC Name	(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
InChI Key	FTTATHOUSOIFOQ-SSDOTTSWSA-N
Molecular Formula	C7H14N2

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(1S,4S)-(-)-2-Boc-2,5-diazabicyclo[2.2.1]heptane, 97%

CAS: 113451-59-5 Molecular Formula: C10H18N2O2 Molecular Weight (g/mol): 198.266 MDL Number: MFCD01569250 InChI Key: UXAWXZDXVOYLII-YUMQZZPRSA-N Synonym: 1s,4s-2-boc-2,5-diazabicyclo 2.2.1 heptane,tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylate,1s,4s-tert-butyl 2,5-diazabicyclo 2.2.1 heptane-2-carboxylate,1s,4s-n-tert-butoxycarbonyl-2,5-diazabicyclo 2.2.1 heptane,1s,4s---2-boc-2,5-diazabicyclo 2.2.1 heptane,tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptan-2-carboxylate,1s,4s-2,5-diaza-bicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester,1s,4s-n-boc-2,5-diazabicyclo 2.2.1 heptane,1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester,tert-butyl 1s,4s---2,5-diazabicyclo 2.2.1 heptane-2-carboxylate PubChem CID: 11521263 IUPAC Name: tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate SMILES: CC(C)(C)OC(=O)N1CC2CC1CN2

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Specifications

PubChem CID	11521263
CAS	113451-59-5
Molecular Weight (g/mol)	198.266
MDL Number	MFCD01569250
SMILES	CC(C)(C)OC(=O)N1CC2CC1CN2
Synonym	1s,4s-2-boc-2,5-diazabicyclo 2.2.1 heptane,tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylate,1s,4s-tert-butyl 2,5-diazabicyclo 2.2.1 heptane-2-carboxylate,1s,4s-n-tert-butoxycarbonyl-2,5-diazabicyclo 2.2.1 heptane,1s,4s---2-boc-2,5-diazabicyclo 2.2.1 heptane,tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptan-2-carboxylate,1s,4s-2,5-diaza-bicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester,1s,4s-n-boc-2,5-diazabicyclo 2.2.1 heptane,1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester,tert-butyl 1s,4s---2,5-diazabicyclo 2.2.1 heptane-2-carboxylate
IUPAC Name	tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
InChI Key	UXAWXZDXVOYLII-YUMQZZPRSA-N
Molecular Formula	C10H18N2O2

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1,4-Diazabicyclo[2.2.2]octane, 97%

CAS: 280-57-9 Molecular Formula: C₆H₁₂N₂ Molecular Weight (g/mol): 112.17 MDL Number: MFCD00006689 InChI Key: IMNIMPAHZVJRPE-UHFFFAOYSA-N Synonym: 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 PubChem CID: 9237 IUPAC Name: 1,4-diazabicyclo[2.2.2]octane SMILES: C1CN2CCN1CC2

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Specifications

PubChem CID	9237
CAS	280-57-9
Molecular Weight (g/mol)	112.17
MDL Number	MFCD00006689
SMILES	C1CN2CCN1CC2
Synonym	1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25
IUPAC Name	1,4-diazabicyclo[2.2.2]octane
InChI Key	IMNIMPAHZVJRPE-UHFFFAOYSA-N
Molecular Formula	C₆H₁₂N₂

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1-tert-Butylpiperazine, 97%

CAS: 38216-72-7 Molecular Formula: C8H18N2 Molecular Weight (g/mol): 142.246 MDL Number: MFCD00049359 InChI Key: PVMNSAIKFPWDQG-UHFFFAOYSA-N Synonym: n-tert-butylpiperazine,1-tert-butyl piperazine,n-t-butylpiperazine,1-t-butyl piperazine,1-tertbutyl piperazine,1-tert-butyl-piperazine,piperazine, 1-1,1-dimethylethyl,n-tert-butyl piperazine,tert-butylpiperazine,tert-butyl piperazine PubChem CID: 3530572 IUPAC Name: 1-tert-butylpiperazine SMILES: CC(C)(C)N1CCNCC1

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Specifications

PubChem CID	3530572
CAS	38216-72-7
Molecular Weight (g/mol)	142.246
MDL Number	MFCD00049359
SMILES	CC(C)(C)N1CCNCC1
Synonym	n-tert-butylpiperazine,1-tert-butyl piperazine,n-t-butylpiperazine,1-t-butyl piperazine,1-tertbutyl piperazine,1-tert-butyl-piperazine,piperazine, 1-1,1-dimethylethyl,n-tert-butyl piperazine,tert-butylpiperazine,tert-butyl piperazine
IUPAC Name	1-tert-butylpiperazine
InChI Key	PVMNSAIKFPWDQG-UHFFFAOYSA-N
Molecular Formula	C8H18N2

Ketoconazole, 98%

CAS: 65277-42-1 Molecular Formula: C26H28Cl2N4O4 Molecular Weight (g/mol): 534.452 MDL Number: MFCD00058579 InChI Key: XMAYWYJOQHXEEK-SIULDFEJSA-N Synonym: ketoconazole PubChem CID: 76973198 IUPAC Name: 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

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Specifications

PubChem CID	76973198
CAS	65277-42-1
Molecular Weight (g/mol)	534.452
MDL Number	MFCD00058579
SMILES	CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
Synonym	ketoconazole
IUPAC Name	2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
InChI Key	XMAYWYJOQHXEEK-SIULDFEJSA-N
Molecular Formula	C26H28Cl2N4O4

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