4-Aminophenylacetonitrile hydrochloride

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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

Structure Search

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C8H8N2
Molecular Weight	132.1625
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 10:13:59 GMT 2025` Edited by `admin` on `Wed Apr 02 10:13:59 GMT 2025`
Record UNII	S2X7BC6GSZ
Record Status	`Validated (UNII)`
Record Version

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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

Related Record Type Details


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4-Aminophenylacetonitrile

PARENT -> SALT/SOLVATE

Amount: