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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H7N.C2H4O2
Molecular Weight 153.1784
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANILINE ACETATE

SMILES

CC(O)=O.NC1=CC=CC=C1

InChI

InChIKey=FHSWXOCOMAVQKE-UHFFFAOYSA-N
InChI=1S/C6H7N.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h1-5H,7H2;1H3,(H,3,4)

HIDE SMILES / InChI

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H7N
Molecular Weight 93.1265
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 Sat Dec 16 03:29:30 GMT 2023
Edited
by admin
on Sat Dec 16 03:29:30 GMT 2023
Record UNII
9K3OS48D34
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANILINE ACETATE
MI  
Systematic Name English
ANILINE, COMPD. WITH HOAC
Common Name English
BENZENAMINE, ACETATE
Systematic Name English
ANILINIUM ACETATE
Systematic Name English
ACETIC ACID ANILINE SALT
Common Name English
ANILINE ACETATE [MI]
Common Name English
PHENYLAMMONIUM ACETATE
Systematic Name English
ANILINE, ACETATE
Systematic Name English
BENZENAMINE, ACETATE (1:1)
Systematic Name English
Code System Code Type Description
DRUG BANK
DBSALT002334
Created by admin on Sat Dec 16 03:29:30 GMT 2023 , Edited by admin on Sat Dec 16 03:29:30 GMT 2023
PRIMARY
CAS
542-14-3
Created by admin on Sat Dec 16 03:29:30 GMT 2023 , Edited by admin on Sat Dec 16 03:29:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-802-4
Created by admin on Sat Dec 16 03:29:30 GMT 2023 , Edited by admin on Sat Dec 16 03:29:30 GMT 2023
PRIMARY
PUBCHEM
5743228
Created by admin on Sat Dec 16 03:29:30 GMT 2023 , Edited by admin on Sat Dec 16 03:29:30 GMT 2023
PRIMARY
MERCK INDEX
m1922
Created by admin on Sat Dec 16 03:29:30 GMT 2023 , Edited by admin on Sat Dec 16 03:29:30 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID2060254
Created by admin on Sat Dec 16 03:29:30 GMT 2023 , Edited by admin on Sat Dec 16 03:29:30 GMT 2023
PRIMARY
FDA UNII
9K3OS48D34
Created by admin on Sat Dec 16 03:29:30 GMT 2023 , Edited by admin on Sat Dec 16 03:29:30 GMT 2023
PRIMARY