4-Guanidinobenzoic acid hydrochloride

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H9N3O2.ClH
Molecular Weight	215.637
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Guanidinobenzoic acid hydrochloride

Structure Search

SMILES

Cl.NC(=N)NC1=CC=C(C=C1)C(O)=O

InChI

InChIKey=YETFLAUJROGBMC-UHFFFAOYSA-N

InChI=1S/C8H9N3O2.ClH/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13)(H4,9,10,11);1H

HIDE SMILES / InChI

Molecular Formula	C8H9N3O2
Molecular Weight	179.176
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:15:10 GMT 2025` Edited by `admin` on `Wed Apr 02 12:15:10 GMT 2025`
Record UNII	AJJ68VM4T4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-163526

Preferred Name

English

4-Guanidinobenzoic acid hydrochloride

Systematic Name

English

4-[[Amino(imino)methyl]amino]benzoic acid hydrochloride

Systematic Name

English

Benzoic acid, 4-[(aminoiminomethyl)amino]-, hydrochloride (1:1)

Systematic Name

English

4-Guanidinobenzoic acid monohydrochloride

Systematic Name

English

p-Guanidinobenzoic acid hydrochloride

Systematic Name

English

Code System Code Type Description

PUBCHEM

3084875

Created by admin on Wed Apr 02 12:15:10 GMT 2025 , Edited by admin on Wed Apr 02 12:15:10 GMT 2025

PRIMARY

CAS

42823-46-1

Created by admin on Wed Apr 02 12:15:10 GMT 2025 , Edited by admin on Wed Apr 02 12:15:10 GMT 2025

PRIMARY

ECHA (EC/EINECS)

255-956-3

Created by admin on Wed Apr 02 12:15:10 GMT 2025 , Edited by admin on Wed Apr 02 12:15:10 GMT 2025

PRIMARY

FDA UNII

AJJ68VM4T4

Created by admin on Wed Apr 02 12:15:10 GMT 2025 , Edited by admin on Wed Apr 02 12:15:10 GMT 2025

PRIMARY

EPA CompTox

DTXSID40195500

Created by admin on Wed Apr 02 12:15:10 GMT 2025 , Edited by admin on Wed Apr 02 12:15:10 GMT 2025

PRIMARY

NSC

163526

Created by admin on Wed Apr 02 12:15:10 GMT 2025 , Edited by admin on Wed Apr 02 12:15:10 GMT 2025

PRIMARY

Related Record Type Details


					XFP29CVC4Z

4-Guanidinobenzoic acid

PARENT -> SALT/SOLVATE

Amount: