Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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Kerosene (Odorless), Fisher Chemical™

CAS: 64742-47-8 MDL Number: MFCD00135561

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Specifications

CAS	64742-47-8
MDL Number	MFCD00135561

Pepstatin A, Fisher BioReagents

CAS: 26305-03-3 Molecular Formula: C34H63N5O9 Molecular Weight (g/mol): 685.904 InChI Key: FAXGPCHRFPCXOO-WQILDUGRSA-N Synonym: pepstatin a PubChem CID: 131801262 IUPAC Name: (3R,4S)-3-hydroxy-4-[[(2R)-2-[[(3R,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid SMILES: CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O

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Specifications

PubChem CID	131801262
CAS	26305-03-3
Molecular Weight (g/mol)	685.904
SMILES	CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
Synonym	pepstatin a
IUPAC Name	(3R,4S)-3-hydroxy-4-[[(2R)-2-[[(3R,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
InChI Key	FAXGPCHRFPCXOO-WQILDUGRSA-N
Molecular Formula	C34H63N5O9

D-Galactose (White to Off-white Powder), Fisher BioReagents

CAS: 59-23-4 Molecular Formula: C₆H₁₂O₆

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Specifications

CAS	59-23-4
Molecular Formula	C₆H₁₂O₆

Guanidine Thiocyanate (White Crystalline Powder), Fisher BioReagents™

CAS: 593-84-0 Molecular Formula: C₂H₆N₄S Synonym: Guanidinium Isothiocyanate

Pricing and Availability
Specifications

CAS	593-84-0
Synonym	Guanidinium Isothiocyanate
Molecular Formula	C₂H₆N₄S

Thermo Scientific Chemicals Fipronil

CAS: 120068-37-3 Molecular Formula: C12H4Cl2F6N4OS Molecular Weight (g/mol): 437.14 InChI Key: ZOCSXAVNDGMNBV-UHFFFAOYNA-N IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-trifluoromethanesulfinyl-1H-pyrazole-3-carbonitrile SMILES: NC1=C(C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F

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Specifications

CAS	120068-37-3
Molecular Weight (g/mol)	437.14
SMILES	NC1=C(C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F
IUPAC Name	5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-trifluoromethanesulfinyl-1H-pyrazole-3-carbonitrile
InChI Key	ZOCSXAVNDGMNBV-UHFFFAOYNA-N
Molecular Formula	C12H4Cl2F6N4OS

2-Methyl-1H-benzimidazole-5-boronic acid pinacol ester, 97%

CAS: 1314216-34-6 Molecular Formula: C14H19BN2O2 Molecular Weight (g/mol): 258.13 MDL Number: MFCD13176536 InChI Key: CPQGLMCLTALRHF-UHFFFAOYSA-N Synonym: 2-methyl-1h-benzimidazole-5-boronic acid pinacol ester,2-methyl-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-benzo d imidazole,2-methyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-benzo d imidazole,cpqglmcltalrhf-uhfffaoysa-n,2-methyl-1h-benzimidazole-5-boronic acidpinacol ester,2-methyl-1h-benzimidazole-5-boronic acid, pinacol ester,1h-benzimidazole, 2-methyl-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,2-methyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-benzo d imidazole,2-methyl-6-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-benzo d imidazole,2-methyl-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-benzimidazole PubChem CID: 46738035 IUPAC Name: 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,3-benzodiazole SMILES: CC1=NC2=CC(=CC=C2N1)B1OC(C)(C)C(C)(C)O1

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Specifications

PubChem CID	46738035
CAS	1314216-34-6
Molecular Weight (g/mol)	258.13
MDL Number	MFCD13176536
SMILES	CC1=NC2=CC(=CC=C2N1)B1OC(C)(C)C(C)(C)O1
Synonym	2-methyl-1h-benzimidazole-5-boronic acid pinacol ester,2-methyl-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-benzo d imidazole,2-methyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-benzo d imidazole,cpqglmcltalrhf-uhfffaoysa-n,2-methyl-1h-benzimidazole-5-boronic acidpinacol ester,2-methyl-1h-benzimidazole-5-boronic acid, pinacol ester,1h-benzimidazole, 2-methyl-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,2-methyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-benzo d imidazole,2-methyl-6-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-benzo d imidazole,2-methyl-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-benzimidazole
IUPAC Name	2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,3-benzodiazole
InChI Key	CPQGLMCLTALRHF-UHFFFAOYSA-N
Molecular Formula	C14H19BN2O2

Dipropylene glycol monobutyl ether

CAS: 29911-28-2 Molecular Formula: C10H22O3 Molecular Weight (g/mol): 190.28 InChI Key: CUVLMZNMSPJDON-UHFFFAOYNA-N IUPAC Name: 1-[(1-butoxypropan-2-yl)oxy]propan-2-ol SMILES: CCCCOCC(C)OCC(C)O

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Specifications

CAS	29911-28-2
Molecular Weight (g/mol)	190.28
SMILES	CCCCOCC(C)OCC(C)O
IUPAC Name	1-[(1-butoxypropan-2-yl)oxy]propan-2-ol
InChI Key	CUVLMZNMSPJDON-UHFFFAOYNA-N
Molecular Formula	C10H22O3

MilliporeSigma™ Heparin, Porcine Intestinal Mucosa, Biotin Conjugate, Calbiochem™,

CAS: 9005-49-6 Molecular Formula: C26H42N2O37S5 Molecular Weight (g/mol): 1134.90 InChI Key: HTTJABKRGRZYRN-UHFFFAOYNA-N Synonym: heparin,enoxaparin,clexane,lovenox,ardeparin,lmwh,lovenox hp,low molecular weight heparin,semuloparin,lipo-hepin PubChem CID: 772

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Specifications

PubChem CID	772
CAS	9005-49-6
Molecular Weight (g/mol)	1134.90
Synonym	heparin,enoxaparin,clexane,lovenox,ardeparin,lmwh,lovenox hp,low molecular weight heparin,semuloparin,lipo-hepin
InChI Key	HTTJABKRGRZYRN-UHFFFAOYNA-N
Molecular Formula	C26H42N2O37S5

1-[(Ethoxycarbonyl)methyl]-1H-pyrazole-4-boronic acid pinacol ester, 97%

CAS: 864754-16-5 Molecular Formula: C13H21BN2O4 Molecular Weight (g/mol): 280.13 MDL Number: MFCD08706026 InChI Key: YUEZJHOSHBTWPV-UHFFFAOYSA-N Synonym: ethyl 2-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazol-1-yl acetate,1-ethoxycarbonylmethyl-1h-pyrazole-4-boronic acid pinacol ester,1-ethoxycarbonylmethyl-1h-pyrazole-4-boronic acid, pinacol ester,1-ethoxycarbonylmethyl pyrazole-4-boronic acid pinacol ester,4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyrazol-1-yl-acetic acid ethyl ester,ethyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole-1-acetate,ethyl 2-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazol-1-yl acetate,pubchem18443,1h-pyrazole-1-acetic acid,4-4,4,5,5-tetramethyl-1 PubChem CID: 16218385 IUPAC Name: ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate SMILES: CCOC(=O)CN1C=C(C=N1)B1OC(C)(C)C(C)(C)O1

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Specifications

PubChem CID	16218385
CAS	864754-16-5
Molecular Weight (g/mol)	280.13
MDL Number	MFCD08706026
SMILES	CCOC(=O)CN1C=C(C=N1)B1OC(C)(C)C(C)(C)O1
Synonym	ethyl 2-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazol-1-yl acetate,1-ethoxycarbonylmethyl-1h-pyrazole-4-boronic acid pinacol ester,1-ethoxycarbonylmethyl-1h-pyrazole-4-boronic acid, pinacol ester,1-ethoxycarbonylmethyl pyrazole-4-boronic acid pinacol ester,4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyrazol-1-yl-acetic acid ethyl ester,ethyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole-1-acetate,ethyl 2-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazol-1-yl acetate,pubchem18443,1h-pyrazole-1-acetic acid,4-4,4,5,5-tetramethyl-1
IUPAC Name	ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
InChI Key	YUEZJHOSHBTWPV-UHFFFAOYSA-N
Molecular Formula	C13H21BN2O4

Dichloroacetic acid, technical, Thermo Scientific™

CAS: 79-43-6 Molecular Formula: C2H2Cl2O2 Molecular Weight (g/mol): 128.94 MDL Number: 00004223 InChI Key: JXTHNDFMNIQAHM-UHFFFAOYSA-N IUPAC Name: 2,2-dichloroacetic acid SMILES: OC(=O)C(Cl)Cl

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Specifications

CAS	79-43-6
Molecular Weight (g/mol)	128.94
MDL Number	00004223
SMILES	OC(=O)C(Cl)Cl
IUPAC Name	2,2-dichloroacetic acid
InChI Key	JXTHNDFMNIQAHM-UHFFFAOYSA-N
Molecular Formula	C2H2Cl2O2

Thermo Scientific Chemicals D-allo-Isoleucine, 97%

CAS: 1509-35-9 Molecular Formula: C6H13NO2 Molecular Weight (g/mol): 131.18 MDL Number: MFCD00066445 InChI Key: AGPKZVBTJJNPAG-CRCLSJGQSA-N Synonym: d-alloisoleucine,d-allo-isoleucine,2r,3s-2-amino-3-methylpentanoic acid,allo-d-isoleucine,alloisoleucine, d,h-d-allo-ile-oh,threo-d-isoleucine,dl-allo-isoleucine,hile,h-dl-allo-ile-oh PubChem CID: 94206 ChEBI: CHEBI:20899 IUPAC Name: (2R,3S)-2-amino-3-methylpentanoic acid SMILES: CC[C@H](C)[C@@H](N)C(O)=O

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Specifications

PubChem CID	94206
CAS	1509-35-9
Molecular Weight (g/mol)	131.18
ChEBI	CHEBI:20899
MDL Number	MFCD00066445
SMILES	CC[C@H](C)[C@@H](N)C(O)=O
Synonym	d-alloisoleucine,d-allo-isoleucine,2r,3s-2-amino-3-methylpentanoic acid,allo-d-isoleucine,alloisoleucine, d,h-d-allo-ile-oh,threo-d-isoleucine,dl-allo-isoleucine,hile,h-dl-allo-ile-oh
IUPAC Name	(2R,3S)-2-amino-3-methylpentanoic acid
InChI Key	AGPKZVBTJJNPAG-CRCLSJGQSA-N
Molecular Formula	C6H13NO2

Isoconazole nitrate, 99%, Thermo Scientific™

CAS: 24168-96-5 Molecular Formula: C18H15Cl4N3O4 Molecular Weight (g/mol): 479.14 MDL Number: MFCD01721647 InChI Key: NNGQLSIGRSTLLU-UHFFFAOYNA-N Synonym: isoconazole nitrate,adestan g100,travogyn,fazol,isoconazole; nitric acid,isoconazole nitrate jan,1-2,4-dichloro-beta-2,6-dichlorobenzyloxy phenethyl imidazole nitrate,1-2-2,6-dichlorobenzyl oxy-2-2,4-dichlorophenyl ethyl imidazole nitrate PubChem CID: 159968 IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid SMILES: O[N+]([O-])=O.ClC1=CC=C(C(CN2C=CN=C2)OCC2=C(Cl)C=CC=C2Cl)C(Cl)=C1

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Specifications

PubChem CID	159968
CAS	24168-96-5
Molecular Weight (g/mol)	479.14
MDL Number	MFCD01721647
SMILES	O[N+]([O-])=O.ClC1=CC=C(C(CN2C=CN=C2)OCC2=C(Cl)C=CC=C2Cl)C(Cl)=C1
Synonym	isoconazole nitrate,adestan g100,travogyn,fazol,isoconazole; nitric acid,isoconazole nitrate jan,1-2,4-dichloro-beta-2,6-dichlorobenzyloxy phenethyl imidazole nitrate,1-2-2,6-dichlorobenzyl oxy-2-2,4-dichlorophenyl ethyl imidazole nitrate
IUPAC Name	1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid
InChI Key	NNGQLSIGRSTLLU-UHFFFAOYNA-N
Molecular Formula	C18H15Cl4N3O4

BOC-3-iodo-L-alanine methyl ester, 97%

CAS: 93267-04-0 Molecular Formula: C9H16INO4 Molecular Weight (g/mol): 329.13 MDL Number: MFCD00216579 InChI Key: UGZBFCCHLUWCQI-LURJTMIESA-N Synonym: boc-beta-iodo-ala-ome,boc-3-iodo-l-alanine methyl ester,r-methyl 2-tert-butoxycarbonyl amino-3-iodopropanoate,n-tert-butoxycarbonyl-3-iodo-l-alanine methyl ester,l-n-boc-3-iodoalanine methyl ester,r-methyl 2-tert-butoxycarbonylamino-3-iodopropanoate,boc-3-iodo-l-ala-ome,n-boc-3-iodo-l-alanine methyl ester,r-boc-,a-iodo-ala-ome,methyl 2r-2-tert-butoxycarbonyl amino-3-iodopropanoate PubChem CID: 10903591 SMILES: COC(=O)[C@H](CI)NC(=O)OC(C)(C)C

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Specifications

PubChem CID	10903591
CAS	93267-04-0
Molecular Weight (g/mol)	329.13
MDL Number	MFCD00216579
SMILES	COC(=O)[C@H](CI)NC(=O)OC(C)(C)C
Synonym	boc-beta-iodo-ala-ome,boc-3-iodo-l-alanine methyl ester,r-methyl 2-tert-butoxycarbonyl amino-3-iodopropanoate,n-tert-butoxycarbonyl-3-iodo-l-alanine methyl ester,l-n-boc-3-iodoalanine methyl ester,r-methyl 2-tert-butoxycarbonylamino-3-iodopropanoate,boc-3-iodo-l-ala-ome,n-boc-3-iodo-l-alanine methyl ester,r-boc-,a-iodo-ala-ome,methyl 2r-2-tert-butoxycarbonyl amino-3-iodopropanoate
InChI Key	UGZBFCCHLUWCQI-LURJTMIESA-N
Molecular Formula	C9H16INO4

Brucine sulfate heptahydrate, 98+%, ACS reagent

CAS: 60583-39-3 Molecular Formula: C46H68N4O19S Molecular Weight (g/mol): 1013.12 MDL Number: MFCD00150159 InChI Key: PPJIVFYMRNHHTJ-UMRIXEKQSA-N Synonym: brucinesulfateheptahydrate fornitrateanalysis PubChem CID: 126969999 IUPAC Name: (4aR,5aR,8aR,13aR,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one;sulfuric acid;heptahydrate SMILES: O.O.O.O.O.O.O.OS(O)(=O)=O.COC1=CC2=C(C=C1OC)C13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34.COC1=CC2=C(C=C1OC)C13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34

Pricing and Availability
Specifications

PubChem CID	126969999
CAS	60583-39-3
Molecular Weight (g/mol)	1013.12
MDL Number	MFCD00150159
SMILES	O.O.O.O.O.O.O.OS(O)(=O)=O.COC1=CC2=C(C=C1OC)C13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34.COC1=CC2=C(C=C1OC)C13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34
Synonym	brucinesulfateheptahydrate fornitrateanalysis
IUPAC Name	(4aR,5aR,8aR,13aR,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one;sulfuric acid;heptahydrate
InChI Key	PPJIVFYMRNHHTJ-UMRIXEKQSA-N
Molecular Formula	C46H68N4O19S

2,2,4,6,6-Pentamethylheptane

CAS: 13475-82-6 Molecular Formula: C12H26 Molecular Weight (g/mol): 170.34 InChI Key: VKPSKYDESGTTFR-UHFFFAOYSA-N IUPAC Name: 2,2,4,6,6-pentamethylheptane SMILES: CC(CC(C)(C)C)CC(C)(C)C

Pricing and Availability
Specifications

CAS	13475-82-6
Molecular Weight (g/mol)	170.34
SMILES	CC(CC(C)(C)C)CC(C)(C)C
IUPAC Name	2,2,4,6,6-pentamethylheptane
InChI Key	VKPSKYDESGTTFR-UHFFFAOYSA-N
Molecular Formula	C12H26

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