Phenylpropanes

Organic compound that contain a propane chain with a phenyl substitution in the following structure: C₆H₅CH₂CH2CH3. These compounds are considered hydrocarbons.

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1 – 15 of 348 results

Butylated Hydroxytoluene, 99.5%, MP Biomedicals™

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

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Specifications

PubChem CID	31404
CAS	128-37-0
Molecular Weight (g/mol)	220.356
ChEBI	CHEBI:34247
SMILES	CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Synonym	2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht
IUPAC Name	2,6-ditert-butyl-4-methylphenol
InChI Key	NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula	C15H24O

Linear alkylbenzenesulfonic acid, 97%

CAS: 68584-22-5 Molecular Formula: C18H30O3S Molecular Weight (g/mol): 326.495 MDL Number: MFCD00147445 InChI Key: QJRVOJKLQNSNDB-UHFFFAOYSA-N Synonym: p-3-dodecyl benzenesulphonic acid,c10-c16 alkylbenzenesulfonic acid,3-4-sulfophenyl dodecane,benzenesulfonic acid, 4-1-ethyldecyl,benzenesulfonic acid, c10-16-alkyl derivs.,dsstox_cid_7923,4-dodecan-3-yl benzenesulfonic acid,c10-c16 alkyl benzene sulfonic acid PubChem CID: 29249 IUPAC Name: 4-dodecan-3-ylbenzenesulfonic acid SMILES: CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O

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Specifications

PubChem CID	29249
CAS	68584-22-5
Molecular Weight (g/mol)	326.495
MDL Number	MFCD00147445
SMILES	CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O
Synonym	p-3-dodecyl benzenesulphonic acid,c10-c16 alkylbenzenesulfonic acid,3-4-sulfophenyl dodecane,benzenesulfonic acid, 4-1-ethyldecyl,benzenesulfonic acid, c10-16-alkyl derivs.,dsstox_cid_7923,4-dodecan-3-yl benzenesulfonic acid,c10-c16 alkyl benzene sulfonic acid
IUPAC Name	4-dodecan-3-ylbenzenesulfonic acid
InChI Key	QJRVOJKLQNSNDB-UHFFFAOYSA-N
Molecular Formula	C18H30O3S

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2,6-Di-tert-butylphenol, 99%

CAS: 128-39-2 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.33 MDL Number: MFCD00008820 InChI Key: DKCPKDPYUFEZCP-UHFFFAOYSA-N Synonym: 2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701 PubChem CID: 31405 IUPAC Name: 2,6-ditert-butylphenol SMILES: CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C

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Specifications

PubChem CID	31405
CAS	128-39-2
Molecular Weight (g/mol)	206.33
MDL Number	MFCD00008820
SMILES	CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C
Synonym	2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701
IUPAC Name	2,6-ditert-butylphenol
InChI Key	DKCPKDPYUFEZCP-UHFFFAOYSA-N
Molecular Formula	C14H22O

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tert-Butylhydroquinone, 97%

CAS: 1948-33-0 Molecular Formula: C₁₀H₁₄O₂ Molecular Weight (g/mol): 166.22 MDL Number: MFCD00002344 InChI Key: BGNXCDMCOKJUMV-UHFFFAOYSA-N Synonym: tert-butylhydroquinone,tbhq,2-tert-butylhydroquinone,t-butylhydroquinone,mtbhq,t-butyl hydroquinone,2-tert-butyl-1,4-benzenediol,2-t-butylhydroquinone,mono-tert-butylhydroquinone,sustane PubChem CID: 16043 ChEBI: CHEBI:78886 IUPAC Name: 2-tert-butylbenzene-1,4-diol SMILES: CC(C)(C)C1=C(C=CC(=C1)O)O

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Specifications

PubChem CID	16043
CAS	1948-33-0
Molecular Weight (g/mol)	166.22
ChEBI	CHEBI:78886
MDL Number	MFCD00002344
SMILES	CC(C)(C)C1=C(C=CC(=C1)O)O
Synonym	tert-butylhydroquinone,tbhq,2-tert-butylhydroquinone,t-butylhydroquinone,mtbhq,t-butyl hydroquinone,2-tert-butyl-1,4-benzenediol,2-t-butylhydroquinone,mono-tert-butylhydroquinone,sustane
IUPAC Name	2-tert-butylbenzene-1,4-diol
InChI Key	BGNXCDMCOKJUMV-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₄O₂

Benzethonium Chloride 97.0+%, TCI America™

CAS: 121-54-0 Molecular Formula: C27H42ClNO2 Molecular Weight (g/mol): 448.088 MDL Number: MFCD00011742 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M Synonym: benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin PubChem CID: 8478 ChEBI: CHEBI:31264 IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

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Specifications

PubChem CID	8478
CAS	121-54-0
Molecular Weight (g/mol)	448.088
ChEBI	CHEBI:31264
MDL Number	MFCD00011742
SMILES	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
Synonym	benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin
IUPAC Name	benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
InChI Key	UREZNYTWGJKWBI-UHFFFAOYSA-M
Molecular Formula	C27H42ClNO2

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1-Phenyl-1,2-propanedione, 98%

CAS: 579-07-7 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00008755 InChI Key: BVQVLAIMHVDZEL-UHFFFAOYSA-N Synonym: 1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone PubChem CID: 11363 ChEBI: CHEBI:63552 IUPAC Name: 1-phenylpropane-1,2-dione SMILES: CC(=O)C(=O)C1=CC=CC=C1

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Specifications

PubChem CID	11363
CAS	579-07-7
Molecular Weight (g/mol)	148.16
ChEBI	CHEBI:63552
MDL Number	MFCD00008755
SMILES	CC(=O)C(=O)C1=CC=CC=C1
Synonym	1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone
IUPAC Name	1-phenylpropane-1,2-dione
InChI Key	BVQVLAIMHVDZEL-UHFFFAOYSA-N
Molecular Formula	C9H8O2

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4-tert-Butylphenylboronic acid, 97%

CAS: 123324-71-0 Molecular Formula: C10H15BO2 Molecular Weight (g/mol): 178.04 MDL Number: MFCD01009697 InChI Key: MNJYZNVROSZZQC-UHFFFAOYSA-N Synonym: 4-t-butylphenylboronic acid,4-tert-butylbenzeneboronic acid,4-tert-butyl phenyl boronic acid,4-tert-butylphenyl boronic acid,4-tert-butyl phenylboronic acid,4-tert-butyl-phenyl boronic acid,4-tert-butylphenyl boranediol,p-t-butylphenylboronic acid,4-tertbutylphenylboronic acid PubChem CID: 2734320 IUPAC Name: (4-tert-butylphenyl)boronic acid SMILES: CC(C)(C)C1=CC=C(C=C1)B(O)O

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Specifications

PubChem CID	2734320
CAS	123324-71-0
Molecular Weight (g/mol)	178.04
MDL Number	MFCD01009697
SMILES	CC(C)(C)C1=CC=C(C=C1)B(O)O
Synonym	4-t-butylphenylboronic acid,4-tert-butylbenzeneboronic acid,4-tert-butyl phenyl boronic acid,4-tert-butylphenyl boronic acid,4-tert-butyl phenylboronic acid,4-tert-butyl-phenyl boronic acid,4-tert-butylphenyl boranediol,p-t-butylphenylboronic acid,4-tertbutylphenylboronic acid
IUPAC Name	(4-tert-butylphenyl)boronic acid
InChI Key	MNJYZNVROSZZQC-UHFFFAOYSA-N
Molecular Formula	C10H15BO2

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2-Phenyl-2-propanol, 98+%

CAS: 617-94-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004456 InChI Key: BDCFWIDZNLCTMF-UHFFFAOYSA-N Synonym: 2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol PubChem CID: 12053 IUPAC Name: 2-phenylpropan-2-ol SMILES: CC(C)(O)C1=CC=CC=C1

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Specifications

PubChem CID	12053
CAS	617-94-7
Molecular Weight (g/mol)	136.19
MDL Number	MFCD00004456
SMILES	CC(C)(O)C1=CC=CC=C1
Synonym	2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol
IUPAC Name	2-phenylpropan-2-ol
InChI Key	BDCFWIDZNLCTMF-UHFFFAOYSA-N
Molecular Formula	C9H12O

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4-tert-Butylphenoxyacetyl chloride, 98%

CAS: 90734-55-7 Molecular Formula: C12H15ClO2 Molecular Weight (g/mol): 226.70 MDL Number: MFCD00798568 InChI Key: CFTNMBDQWVPSHI-UHFFFAOYSA-N Synonym: 4-tert-butylphenoxyacetyl chloride,4-tert-butylphenoxy acetyl chloride,2-4-tert-butylphenoxy acetyl chloride,2-4-tert-butyl phenoxy acetyl chloride,pubchem14851,4-tert-butylphenoxyacetyl cloride,para-t-butylphenoxyacetyl chloride,4-t-butyl-phenoxy acetyl chloride,4-tert-butyl-phenoxyacetyl chloride PubChem CID: 611195 IUPAC Name: 2-(4-tert-butylphenoxy)acetyl chloride SMILES: CC(C)(C)C1=CC=C(OCC(Cl)=O)C=C1

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Specifications

PubChem CID	611195
CAS	90734-55-7
Molecular Weight (g/mol)	226.70
MDL Number	MFCD00798568
SMILES	CC(C)(C)C1=CC=C(OCC(Cl)=O)C=C1
Synonym	4-tert-butylphenoxyacetyl chloride,4-tert-butylphenoxy acetyl chloride,2-4-tert-butylphenoxy acetyl chloride,2-4-tert-butyl phenoxy acetyl chloride,pubchem14851,4-tert-butylphenoxyacetyl cloride,para-t-butylphenoxyacetyl chloride,4-t-butyl-phenoxy acetyl chloride,4-tert-butyl-phenoxyacetyl chloride
IUPAC Name	2-(4-tert-butylphenoxy)acetyl chloride
InChI Key	CFTNMBDQWVPSHI-UHFFFAOYSA-N
Molecular Formula	C12H15ClO2

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1-Bromo-4-tert-butylbenzene, 97%

CAS: 3972-65-4 Molecular Formula: C₁₀H₁₃Br Molecular Weight (g/mol): 213.12 MDL Number: MFCD00000108 InChI Key: XHCAGOVGSDHHNP-UHFFFAOYSA-N Synonym: 4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene PubChem CID: 77595 IUPAC Name: 1-bromo-4-tert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)Br

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Specifications

PubChem CID	77595
CAS	3972-65-4
Molecular Weight (g/mol)	213.12
MDL Number	MFCD00000108
SMILES	CC(C)(C)C1=CC=C(C=C1)Br
Synonym	4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene
IUPAC Name	1-bromo-4-tert-butylbenzene
InChI Key	XHCAGOVGSDHHNP-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₃Br

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4-tert-Butylbenzyl alcohol, 98%

CAS: 877-65-6 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD00004662 InChI Key: FVEINXLJOJPHLH-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl alcohol,4-tert-butyl phenyl methanol,4-tert-butylphenyl methanol,4-t-butylbenzyl alcohol,p-tert-butylbenzyl alcohol,4-t-butylbenzylalcohol,benzenemethanol, 4-1,1-dimethylethyl,4-1,1-dimethylethyl benzenemethanol,4-tert-butylbenzylalcohol,p-t-butylbenzyl alcohol PubChem CID: 13416 IUPAC Name: (4-tert-butylphenyl)methanol SMILES: CC(C)(C)C1=CC=C(C=C1)CO

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Specifications

PubChem CID	13416
CAS	877-65-6
Molecular Weight (g/mol)	164.248
MDL Number	MFCD00004662
SMILES	CC(C)(C)C1=CC=C(C=C1)CO
Synonym	4-tert-butylbenzyl alcohol,4-tert-butyl phenyl methanol,4-tert-butylphenyl methanol,4-t-butylbenzyl alcohol,p-tert-butylbenzyl alcohol,4-t-butylbenzylalcohol,benzenemethanol, 4-1,1-dimethylethyl,4-1,1-dimethylethyl benzenemethanol,4-tert-butylbenzylalcohol,p-t-butylbenzyl alcohol
IUPAC Name	(4-tert-butylphenyl)methanol
InChI Key	FVEINXLJOJPHLH-UHFFFAOYSA-N
Molecular Formula	C11H16O

Benzethonium chloride, 97%

CAS: 121-54-0 Molecular Formula: C₂₇H₄₂ClNO₂ Molecular Weight (g/mol): 448.08 MDL Number: MFCD00011742 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M Synonym: benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin PubChem CID: 8478 ChEBI: CHEBI:31264 IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

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Specifications

PubChem CID	8478
CAS	121-54-0
Molecular Weight (g/mol)	448.08
ChEBI	CHEBI:31264
MDL Number	MFCD00011742
SMILES	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
Synonym	benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin
IUPAC Name	benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
InChI Key	UREZNYTWGJKWBI-UHFFFAOYSA-M
Molecular Formula	C₂₇H₄₂ClNO₂

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2-Bromophenylacetone, 99%

CAS: 21906-31-0 Molecular Formula: C₉H₉BrO Molecular Weight (g/mol): 213.08 MDL Number: MFCD03410431 InChI Key: TZIAZLUAMDLDJF-UHFFFAOYSA-N Synonym: 2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388 PubChem CID: 2734092 IUPAC Name: 1-(2-bromophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1Br

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Specifications

PubChem CID	2734092
CAS	21906-31-0
Molecular Weight (g/mol)	213.08
MDL Number	MFCD03410431
SMILES	CC(=O)CC1=CC=CC=C1Br
Synonym	2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388
IUPAC Name	1-(2-bromophenyl)propan-2-one
InChI Key	TZIAZLUAMDLDJF-UHFFFAOYSA-N
Molecular Formula	C₉H₉BrO

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5-tert-Butyl-2-iodo-1,3-dimethylbenzene, 97%

CAS: 5122-20-3 Molecular Formula: C12H17I Molecular Weight (g/mol): 288.17 MDL Number: MFCD00052173 InChI Key: SCKWYPTZVFBKKW-UHFFFAOYSA-N Synonym: 5-tert-butyl-2-iodo-1,3-dimethylbenzene,maybridge4_003980,acmc-20am7p,5-tert-butyl-2-iodo-m-xylene,4-tert-butyl-2,6-dimethyliodobenzene,5-tert-butyl-2-iodo-1,3-dimeth,5-tert-butyl-2-iodo-1,3-dimethyl-benzene,benzene,5-1,1-dimethylethyl-2-iodo-1,3-dimethyl PubChem CID: 2739988 IUPAC Name: 5-tert-butyl-2-iodo-1,3-dimethylbenzene SMILES: CC1=CC(=CC(C)=C1I)C(C)(C)C

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Specifications

PubChem CID	2739988
CAS	5122-20-3
Molecular Weight (g/mol)	288.17
MDL Number	MFCD00052173
SMILES	CC1=CC(=CC(C)=C1I)C(C)(C)C
Synonym	5-tert-butyl-2-iodo-1,3-dimethylbenzene,maybridge4_003980,acmc-20am7p,5-tert-butyl-2-iodo-m-xylene,4-tert-butyl-2,6-dimethyliodobenzene,5-tert-butyl-2-iodo-1,3-dimeth,5-tert-butyl-2-iodo-1,3-dimethyl-benzene,benzene,5-1,1-dimethylethyl-2-iodo-1,3-dimethyl
IUPAC Name	5-tert-butyl-2-iodo-1,3-dimethylbenzene
InChI Key	SCKWYPTZVFBKKW-UHFFFAOYSA-N
Molecular Formula	C12H17I

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alpha,alpha-Dimethylbenzylamine, 96%

CAS: 585-32-0 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00134680 InChI Key: KDFDOINBXBEOLZ-UHFFFAOYSA-N Synonym: cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine PubChem CID: 68509 IUPAC Name: 2-phenylpropan-2-amine SMILES: CC(C)(N)C1=CC=CC=C1

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Specifications

PubChem CID	68509
CAS	585-32-0
Molecular Weight (g/mol)	135.21
MDL Number	MFCD00134680
SMILES	CC(C)(N)C1=CC=CC=C1
Synonym	cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine
IUPAC Name	2-phenylpropan-2-amine
InChI Key	KDFDOINBXBEOLZ-UHFFFAOYSA-N
Molecular Formula	C9H13N

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