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Details

Stereochemistry ACHIRAL
Molecular Formula C14H22N2O4
Molecular Weight 282.3355
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[(1,1-Dimethylethyl)amino]-3-(3-methyl-2-nitrophenoxy)-2-propanol

SMILES

CC1=C(C(OCC(O)CNC(C)(C)C)=CC=C1)[N+]([O-])=O

InChI

InChIKey=NQYPBNSEXJIHEM-UHFFFAOYSA-N
InChI=1S/C14H22N2O4/c1-10-6-5-7-12(13(10)16(18)19)20-9-11(17)8-15-14(2,3)4/h5-7,11,15,17H,8-9H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C14H22N2O4
Molecular Weight 282.3355
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 Mon Mar 31 22:52:47 GMT 2025
Edited
by admin
on Mon Mar 31 22:52:47 GMT 2025
Record UNII
CA55MB68W3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Zami 1305
Preferred Name English
1-[(1,1-Dimethylethyl)amino]-3-(3-methyl-2-nitrophenoxy)-2-propanol
Systematic Name English
2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-(3-methyl-2-nitrophenoxy)-
Systematic Name English
Code System Code Type Description
CAS
72620-20-3
Created by admin on Mon Mar 31 22:52:47 GMT 2025 , Edited by admin on Mon Mar 31 22:52:47 GMT 2025
PRIMARY
PUBCHEM
51665
Created by admin on Mon Mar 31 22:52:47 GMT 2025 , Edited by admin on Mon Mar 31 22:52:47 GMT 2025
PRIMARY
FDA UNII
CA55MB68W3
Created by admin on Mon Mar 31 22:52:47 GMT 2025 , Edited by admin on Mon Mar 31 22:52:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID80993481
Created by admin on Mon Mar 31 22:52:47 GMT 2025 , Edited by admin on Mon Mar 31 22:52:47 GMT 2025
PRIMARY