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Details

Stereochemistry ACHIRAL
Molecular Formula C12H17NO3
Molecular Weight 223.2683
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3,4-DIHYDROXYPHENYL)-2-((1,1-DIMETHYLETHYL)AMINO)ETHANONE

SMILES

CC(C)(C)NCC(=O)C1=CC(O)=C(O)C=C1

InChI

InChIKey=RNGOPMBKNLMANA-UHFFFAOYSA-N
InChI=1S/C12H17NO3/c1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8/h4-6,13-15H,7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H17NO3
Molecular Weight 223.2683
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:09:49 GMT 2023
Edited
by admin
on Sat Dec 16 19:09:49 GMT 2023
Record UNII
Z7NVE2N7DB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3,4-DIHYDROXYPHENYL)-2-((1,1-DIMETHYLETHYL)AMINO)ETHANONE
Systematic Name English
ETHANONE, 1-(3,4-DIHYDROXYPHENYL)-2-((1,1-DIMETHYLETHYL)AMINO)-
Systematic Name English
2-(TERT-BUTYLAMINO)-1-(3,4-DIHYDROXYPHENYL)ETHAN-1-ONE
Systematic Name English
3,4-DIHYDROXYPHENYL N-(TERT-BUTYL)AMINOMETHYL KETONE
Systematic Name English
2-(TERT-BUTYLAMINO)-1-(3,4-DIHYDROXYPHENYL)ETHANONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50388486
Created by admin on Sat Dec 16 19:09:49 GMT 2023 , Edited by admin on Sat Dec 16 19:09:49 GMT 2023
PRIMARY
CAS
105644-17-5
Created by admin on Sat Dec 16 19:09:49 GMT 2023 , Edited by admin on Sat Dec 16 19:09:49 GMT 2023
PRIMARY
FDA UNII
Z7NVE2N7DB
Created by admin on Sat Dec 16 19:09:49 GMT 2023 , Edited by admin on Sat Dec 16 19:09:49 GMT 2023
PRIMARY
PUBCHEM
3015705
Created by admin on Sat Dec 16 19:09:49 GMT 2023 , Edited by admin on Sat Dec 16 19:09:49 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT