4-(2-Aminoethyl)benzonitrile hydrochloride - CAS 167762-80-3

Catalog:	BB012418
Product Name:	4-(2-Aminoethyl)benzonitrile hydrochloride
CAS:	167762-80-3
Synonyms:	4-(2-aminoethyl)benzonitrile;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(2-aminoethyl)benzonitrile;hydrochloride
Description:	4-(2-Aminoethyl)benzonitrile hydrochloride (CAS# 167762-80-3) is a useful research chemical.
Molecular Weight:	182.65
Molecular Formula:	C9H10N2 · HCl
Canonical SMILES:	C1=CC(=CC=C1CCN)C#N.Cl
InChI:	InChI=1S/C9H10N2.ClH/c10-6-5-8-1-3-9(7-11)4-2-8;/h1-4H,5-6,10H2;1H
InChI Key:	LTYHPCKZVFOVCH-UHFFFAOYSA-N
Boiling Point:	319.5 ℃ at 760 mmHg
Purity:	98 %
MDL:	MFCD09878803
LogP:	2.56178

Publication Number	Title	Priority Date
WO-2021021893-A1	Compounds for use in treating neurological disorders	20190729
TW-202045492-A	P300/cbp hat inhibitors and methods for their use	20190227
WO-2020176558-A1	P300/cbp hat inhibitors and methods for their use	20190227
TW-202000658-A	P300/CBP HAT inhibitors and methods for their use	20180216
WO-2019161162-A1	P300/cbp hat inhibitors	20180216

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

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, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.0610761
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	182.0610761
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0