U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C8H11NO
Molecular Weight 137.179
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-DIMETHYLANILINE N-OXIDE

SMILES

CN(C)(=O)C1=CC=CC=C1

InChI

InChIKey=LKQUDAOAMBKKQW-UHFFFAOYSA-N
InChI=1S/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H11NO
Molecular Weight 137.179
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
N3Q9LN57GP
Record Status Validated (UNII)
Record Version