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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H11N
Molecular Weight 133.1903
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ALLYLANILINE

SMILES

C=CCNC1=CC=CC=C1

InChI

InChIKey=LQFLWKPCQITJIH-UHFFFAOYSA-N
InChI=1S/C9H11N/c1-2-8-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2

HIDE SMILES / InChI

Molecular Formula C9H11N
Molecular Weight 133.1903
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of genotoxicity of chemical compounds by statistical learning methods.
2005 Jun
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:59:19 GMT 2023
Edited
by admin
on Sat Dec 16 07:59:19 GMT 2023
Record UNII
Q7S639GWXG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ALLYLANILINE
Systematic Name English
N-(2-PROPENYL)ANILINE
Systematic Name English
ANILINE, N-ALLYL-
Systematic Name English
BENZENAMINE, N-2-PROPENYL-
Systematic Name English
N-(2-PROPENYL)BENZENAMINE
Systematic Name English
N-ALLYL-N-PHENYLAMINE
Systematic Name English
NSC-1967
Code English
N-PHENYLALLYLAMINE
Systematic Name English
ALLYLPHENYLAMINE
Systematic Name English
BENZENAMINE, N-2-PROPEN-1-YL-
Systematic Name English
Code System Code Type Description
FDA UNII
Q7S639GWXG
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-633-9
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY
CAS
589-09-3
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID5022065
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY
PUBCHEM
68525
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY
NSC
1967
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY
DRUG BANK
DB02870
Created by admin on Sat Dec 16 07:59:20 GMT 2023 , Edited by admin on Sat Dec 16 07:59:20 GMT 2023
PRIMARY