2-(4-Aminophenyl)-2-methylpropanenitrile - CAS 115279-57-7

Catalog:	BB003532
Product Name:	2-(4-Aminophenyl)-2-methylpropanenitrile
CAS:	115279-57-7
Synonyms:	2-(4-aminophenyl)-2-methylpropanenitrile; 2-(4-aminophenyl)-2-methylpropanenitrile

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-(4-aminophenyl)-2-methylpropanenitrile
Description:	2-(4-Aminophenyl)-2-methylpropanenitrile (CAS# 115279-57-7) is a useful research chemical.
Molecular Weight:	160.22
Molecular Formula:	C10H12N2
Canonical SMILES:	CC(C)(C#N)C1=CC=C(C=C1)N
InChI:	InChI=1S/C10H12N2/c1-10(2,7-11)8-3-5-9(12)6-4-8/h3-6H,12H2,1-2H3
InChI Key:	VXDPOGVDHHJTDY-UHFFFAOYSA-N
Boiling Point:	311.228 °C at 760 mmHg
Density:	1.056 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD09909912
LogP:	2.65118

Publication Number	Title	Priority Date
CN-111187181-A	Preparation method for synthesizing 2- (4-aminophenyl) -2-methylpropanenitrile compound from 2, 2-dimethyl-N-phenyl-propionamide	20191122
US-2021032251-A1	Heterobicyclic amides as inhibitors of cd38	20190731
WO-2021021986-A1	Heterobicyclic amides as inhibitors of cd38	20190731
WO-2021020362-A1	Heterocyclic compound	20190729
WO-2020223154-A1	Methods of enhancing immune response	20190501

PMID	Publication Date	Title	Journal
19845675	20091101	Role of channel activation in cognitive enhancement mediated by alpha7 nicotinic acetylcholine receptors	British journal of pharmacology

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[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
[17583-40-3]
2-(Methylamino)benzonitrile
[42150-24-3]
2-(4-Pyrazolyl)ethylamine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.100048391
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.100048391
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8