U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H8N2.ClH
Molecular Weight 168.623
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Aminophenylacetonitrile hydrochloride

SMILES

Cl.NC1=CC=C(CC#N)C=C1

InChI

InChIKey=JMGBJPJOBHXMID-UHFFFAOYSA-N
InChI=1S/C8H8N2.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h1-4H,5,10H2;1H

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-7924
Preferred Name English
4-Aminophenylacetonitrile hydrochloride
Systematic Name English
Acetonitrile, (p-aminophenyl)-, hydrochloride
Systematic Name English
(p-Aminophenyl)acetonitrile hydrochloride
Systematic Name English
(4-(Cyanomethyl)phenyl)ammonium chloride
Systematic Name English
Benzeneacetonitrile, 4-amino-, monohydrochloride
Systematic Name English
Benzeneacetonitrile, 4-amino-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
CAS
3457-99-6
Created by admin on Wed Apr 02 10:13:59 GMT 2025 , Edited by admin on Wed Apr 02 10:13:59 GMT 2025
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ECHA (EC/EINECS)
222-391-9
Created by admin on Wed Apr 02 10:13:59 GMT 2025 , Edited by admin on Wed Apr 02 10:13:59 GMT 2025
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PUBCHEM
76999
Created by admin on Wed Apr 02 10:13:59 GMT 2025 , Edited by admin on Wed Apr 02 10:13:59 GMT 2025
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EPA CompTox
DTXSID8063040
Created by admin on Wed Apr 02 10:13:59 GMT 2025 , Edited by admin on Wed Apr 02 10:13:59 GMT 2025
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FDA UNII
S2X7BC6GSZ
Created by admin on Wed Apr 02 10:13:59 GMT 2025 , Edited by admin on Wed Apr 02 10:13:59 GMT 2025
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NSC
7924
Created by admin on Wed Apr 02 10:13:59 GMT 2025 , Edited by admin on Wed Apr 02 10:13:59 GMT 2025
PRIMARY