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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, (R)-

SMILES

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

InChI

InChIKey=XCFFBNLSVNCZRQ-LBPRGKRZSA-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-/m0/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 12:50:57 GMT 2023
Edited
by admin
on Sat Dec 16 12:50:57 GMT 2023
Record UNII
6M3FHQ2DJF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-NITROSOBAMETHAN, (R)-
Common Name English
BENZENEMETHANOL, .ALPHA.-((BUTYLNITROSOAMINO)METHYL)-4-HYDROXY-, (R)-
Systematic Name English
N-BUTYL-N-((2R)-2-HYDROXY-2-(4-HYDROXYPHENYL)ETHYL)NITROUS AMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
150564
Created by admin on Sat Dec 16 12:50:57 GMT 2023 , Edited by admin on Sat Dec 16 12:50:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID00910711
Created by admin on Sat Dec 16 12:50:57 GMT 2023 , Edited by admin on Sat Dec 16 12:50:57 GMT 2023
PRIMARY
CAS
108392-54-7
Created by admin on Sat Dec 16 12:50:57 GMT 2023 , Edited by admin on Sat Dec 16 12:50:57 GMT 2023
PRIMARY
FDA UNII
6M3FHQ2DJF
Created by admin on Sat Dec 16 12:50:57 GMT 2023 , Edited by admin on Sat Dec 16 12:50:57 GMT 2023
PRIMARY
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