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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N2O
Molecular Weight 164.2044
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methylphenylethylnitrosamine

SMILES

CN(CCC1=CC=CC=C1)N=O

InChI

InChIKey=AVESHLVLHJKUKQ-UHFFFAOYSA-N
InChI=1S/C9H12N2O/c1-11(10-12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Methylphenylethylnitrosamine
Systematic Name English
Benzeneethanamine, N-methyl-N-nitroso-
Preferred Name English
NITROSO-N-METHYL-N-(2-PHENYLETHYL)AMINE, N-
Systematic Name English
N-methyl-N-nitrosobenzeneethanamine
Systematic Name English
N-Nitroso-N-methyl-2-phenylethylamine
Systematic Name English
Phenethylamine, N-methyl-N-nitroso-
Systematic Name English
Code System Code Type Description
FDA UNII
DYK7894FDF
Created by admin on Mon Mar 31 18:52:12 GMT 2025 , Edited by admin on Mon Mar 31 18:52:12 GMT 2025
PRIMARY
CAS
13256-11-6
Created by admin on Mon Mar 31 18:52:12 GMT 2025 , Edited by admin on Mon Mar 31 18:52:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID9021003
Created by admin on Mon Mar 31 18:52:12 GMT 2025 , Edited by admin on Mon Mar 31 18:52:12 GMT 2025
PRIMARY
PUBCHEM
83271
Created by admin on Mon Mar 31 18:52:12 GMT 2025 , Edited by admin on Mon Mar 31 18:52:12 GMT 2025
PRIMARY
SMS_ID
300000053518
Created by admin on Mon Mar 31 18:52:12 GMT 2025 , Edited by admin on Mon Mar 31 18:52:12 GMT 2025
PRIMARY
NIH
NCATS
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