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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H18N2O3
Molecular Weight 238.2829
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-NITROSOBAMETHAN, (S)-

SMILES

CCCCN(C[C@@H](O)C1=CC=C(O)C=C1)N=O

InChI

InChIKey=XCFFBNLSVNCZRQ-GFCCVEGCSA-N
InChI=1S/C12H18N2O3/c1-2-3-8-14(13-17)9-12(16)10-4-6-11(15)7-5-10/h4-7,12,15-16H,2-3,8-9H2,1H3/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H18N2O3
Molecular Weight 238.2829
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:39:50 GMT 2023
Edited
by admin
on Sat Dec 16 12:39:50 GMT 2023
Record UNII
CA3BT5U7QP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-NITROSOBAMETHAN, (S)-
Common Name English
BENZENEMETHANOL, .ALPHA.-((BUTYLNITROSOAMINO)METHYL)-4-HYDROXY-, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
135708
Created by admin on Sat Dec 16 12:39:50 GMT 2023 , Edited by admin on Sat Dec 16 12:39:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID40910710
Created by admin on Sat Dec 16 12:39:50 GMT 2023 , Edited by admin on Sat Dec 16 12:39:50 GMT 2023
PRIMARY
FDA UNII
CA3BT5U7QP
Created by admin on Sat Dec 16 12:39:50 GMT 2023 , Edited by admin on Sat Dec 16 12:39:50 GMT 2023
PRIMARY
CAS
108392-53-6
Created by admin on Sat Dec 16 12:39:50 GMT 2023 , Edited by admin on Sat Dec 16 12:39:50 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER