5-(Dimethylamino)-1-naphthalenesulfonic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H13NO3S
Molecular Weight	251.302
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-(Dimethylamino)-1-naphthalenesulfonic acid

Structure Search

SMILES

CN(C)C1=C2C=CC=C(C2=CC=C1)S(O)(=O)=O

InChI

InChIKey=BBEQQKBWUHCIOU-UHFFFAOYSA-N

InChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)

HIDE SMILES / InChI

Molecular Formula	C12H13NO3S
Molecular Weight	251.302
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 `Mon Mar 31 19:28:10 GMT 2025` Edited by `admin` on `Mon Mar 31 19:28:10 GMT 2025`
Record UNII	Q7GT975TCW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-Naphthalenesulfonic acid, 5-(dimethylamino)-

Preferred Name

English

5-(Dimethylamino)-1-naphthalenesulfonic acid

Systematic Name

English

5-(Dimethylamino)naphthalene-1-sulfonic acid

Systematic Name

English

N,N-Dimethyl-1-naphthylamine-5-sulfonic acid

Systematic Name

English

Code System Code Type Description

CAS

4272-77-9

Created by admin on Mon Mar 31 19:28:10 GMT 2025 , Edited by admin on Mon Mar 31 19:28:10 GMT 2025

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PUBCHEM

1792

Created by admin on Mon Mar 31 19:28:10 GMT 2025 , Edited by admin on Mon Mar 31 19:28:10 GMT 2025

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EPA CompTox

DTXSID8063383

Created by admin on Mon Mar 31 19:28:10 GMT 2025 , Edited by admin on Mon Mar 31 19:28:10 GMT 2025

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ECHA (EC/EINECS)

224-268-5

Created by admin on Mon Mar 31 19:28:10 GMT 2025 , Edited by admin on Mon Mar 31 19:28:10 GMT 2025

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FDA UNII

Q7GT975TCW

Created by admin on Mon Mar 31 19:28:10 GMT 2025 , Edited by admin on Mon Mar 31 19:28:10 GMT 2025

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