alpha,alpha-Dimethylbenzylamine - CAS 585-32-0

Catalog:	BB030067
Product Name:	alpha,alpha-Dimethylbenzylamine
CAS:	585-32-0
Synonyms:	2-phenyl-2-propanamine; 2-phenylpropan-2-amine

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Catalog	Size	Price	Stock	Quantity
BB030067	100 g	$398	In stock

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Technical Data

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Computed Properties

IUPAC Name:	2-phenylpropan-2-amine
Description:	alpha,alpha-Dimethylbenzylamine (CAS# 585-32-0) is a reactant in the preparation of anti-malarial drugs. Also used in the preparation of HCV inhibitors.
Molecular Weight:	135.21
Molecular Formula:	C9H13N
Canonical SMILES:	CC(C)(C1=CC=CC=C1)N
InChI:	InChI=1S/C9H13N/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,10H2,1-2H3
InChI Key:	KDFDOINBXBEOLZ-UHFFFAOYSA-N
Boiling Point:	197 °C
Density:	0.94 g/cm³
MDL:	MFCD00134680
LogP:	2.58070

Publication Number	Title	Priority Date
CN-113292510-A	Benzisothiazole compound for inhibiting hypoxia inducible factor 2 activity, preparation method and application thereof	20210607
CN-112694407-A	Production and preparation method of 2-methyl-4-isopropyl aniline	20201230
CN-112759521-A	Production and preparation method of 2-methyl-6-isopropyl aniline	20201230
CN-112279789-A	Method for preparing isonitrile compound	20201029
CN-112110863-A	Sulfonyl fluoride compound, preparation method thereof and method for preparing sulfonamide compound through sulfonyl fluoride compound	20200827

PMID	Publication Date	Title	Journal
18171079	20080201	Scalable synthesis of the VEGF-R2 kinase inhibitor JNJ-17029259 using ultrasound-mediated addition of MeLi-CeCl3 to a nitrile	The Journal of organic chemistry

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Related Functional Groups

Amines and Anilines

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride

GHS Hazard Statement:	H301 (82.61%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P273, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.104799419
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	135.104799419
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6