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Details

Stereochemistry RACEMIC
Molecular Formula C12H18N2O3
Molecular Weight 238.2829
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

CCCCN(CC(O)C1=CC=C(O)C=C1)N=O

InChI

InChIKey=XCFFBNLSVNCZRQ-UHFFFAOYSA-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

HIDE SMILES / InChI

Molecular Formula C12H18N2O3
Molecular Weight 238.2829
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:53:02 GMT 2023
Edited
by admin
on Sat Dec 16 12:53:02 GMT 2023
Record UNII
FA3PWM4CU9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-NITROSOBAMETHAN, (±)-
Common Name English
(±)-N-NITROSOBAMETHAN
Systematic Name English
BENZENEMETHANOL, .ALPHA.-((BUTYLNITROSOAMINO)METHYL)-4-HYDROXY-
Systematic Name English
Code System Code Type Description
CAS
78658-61-4
Created by admin on Sat Dec 16 12:53:02 GMT 2023 , Edited by admin on Sat Dec 16 12:53:02 GMT 2023
PRIMARY
PUBCHEM
53462375
Created by admin on Sat Dec 16 12:53:02 GMT 2023 , Edited by admin on Sat Dec 16 12:53:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID101033007
Created by admin on Sat Dec 16 12:53:02 GMT 2023 , Edited by admin on Sat Dec 16 12:53:02 GMT 2023
PRIMARY
FDA UNII
FA3PWM4CU9
Created by admin on Sat Dec 16 12:53:02 GMT 2023 , Edited by admin on Sat Dec 16 12:53:02 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE