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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N2O4
Molecular Weight 212.2026
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-1-(4-NITROPHENYL)-1,3-PROPANEDIOL

SMILES

NC(CO)C(O)C1=CC=C(C=C1)[N+]([O-])=O

InChI

InChIKey=OCYJXSUPZMNXEN-UHFFFAOYSA-N
InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2

HIDE SMILES / InChI

Molecular Formula C9H12N2O4
Molecular Weight 212.2026
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:49:35 UTC 2023
Edited
by admin
on Sat Dec 16 04:49:35 UTC 2023
Record UNII
8FB0B566G6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-AMINO-1-(4-NITROPHENYL)-1,3-PROPANEDIOL
Systematic Name English
1,3-PROPANEDIOL, 2-AMINO-1-(4-NITROPHENYL)-
Systematic Name English
1-(4-NITROPHENYL)-2-AMINOPROPANE-1,3-DIOL
Systematic Name English
NSC-163951
Code English
Code System Code Type Description
FDA UNII
8FB0B566G6
Created by admin on Sat Dec 16 04:49:35 UTC 2023 , Edited by admin on Sat Dec 16 04:49:35 UTC 2023
PRIMARY
ECHA (EC/EINECS)
204-338-1
Created by admin on Sat Dec 16 04:49:35 UTC 2023 , Edited by admin on Sat Dec 16 04:49:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID501020866
Created by admin on Sat Dec 16 04:49:35 UTC 2023 , Edited by admin on Sat Dec 16 04:49:35 UTC 2023
PRIMARY
CAS
119-62-0
Created by admin on Sat Dec 16 04:49:35 UTC 2023 , Edited by admin on Sat Dec 16 04:49:35 UTC 2023
PRIMARY
PUBCHEM
92743
Created by admin on Sat Dec 16 04:49:35 UTC 2023 , Edited by admin on Sat Dec 16 04:49:35 UTC 2023
PRIMARY
NSC
163951
Created by admin on Sat Dec 16 04:49:35 UTC 2023 , Edited by admin on Sat Dec 16 04:49:35 UTC 2023
PRIMARY
Related Record Type Details
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