U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C13H18BrNO
Molecular Weight 284.192
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(N-TERT-BUTYLAMINO)-3'-BROMOPROPIOPHENONE

SMILES

CC(NC(C)(C)C)C(=O)C1=CC=CC(Br)=C1

InChI

InChIKey=GIDJZDYNVHMFAH-UHFFFAOYSA-N
InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3

HIDE SMILES / InChI

Molecular Formula C13H18BrNO
Molecular Weight 284.192
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 15:35:00 GMT 2023
Edited
by admin
on Sat Dec 16 15:35:00 GMT 2023
Record UNII
BA7SW58FKS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(N-TERT-BUTYLAMINO)-3'-BROMOPROPIOPHENONE
Systematic Name English
1-PROPANONE, 1-(3-BROMOPHENYL)-2-((1,1-DIMETHYLETHYL)AMINO)-
Systematic Name English
1-(3-BROMOPHENYL)-2-(TERT-BUTYLAMINO)PROPAN-1-ONE
Systematic Name English
1-(3-BROMOPHENYL)-2-((1,1-DIMETHYLETHYL)AMINO)-1-PROPANONE
Systematic Name English
Code System Code Type Description
PUBCHEM
3031062
Created by admin on Sat Dec 16 15:35:01 GMT 2023 , Edited by admin on Sat Dec 16 15:35:01 GMT 2023
PRIMARY
CAS
1049974-35-7
Created by admin on Sat Dec 16 15:35:01 GMT 2023 , Edited by admin on Sat Dec 16 15:35:01 GMT 2023
PRIMARY
FDA UNII
BA7SW58FKS
Created by admin on Sat Dec 16 15:35:01 GMT 2023 , Edited by admin on Sat Dec 16 15:35:01 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP