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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H17N
Molecular Weight 163.2594
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(tert-Butyl)benzenemethanamine

SMILES

CC(C)(C)NCC1=CC=CC=C1

InChI

InChIKey=DLSOILHAKCBARI-UHFFFAOYSA-N
InChI=1S/C11H17N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H17N
Molecular Weight 163.2594
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 12:25:10 GMT 2023
Edited
by admin
on Sat Dec 16 12:25:10 GMT 2023
Record UNII
QMD9L6C8U3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(tert-Butyl)benzenemethanamine
Systematic Name English
N-(1,1-Dimethylethyl)benzenemethanamine
Systematic Name English
Benzenemethanamine, N-(1,1-dimethylethyl)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2063002
Created by admin on Sat Dec 16 12:25:10 GMT 2023 , Edited by admin on Sat Dec 16 12:25:10 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-179-6
Created by admin on Sat Dec 16 12:25:10 GMT 2023 , Edited by admin on Sat Dec 16 12:25:10 GMT 2023
PRIMARY
PUBCHEM
76908
Created by admin on Sat Dec 16 12:25:10 GMT 2023 , Edited by admin on Sat Dec 16 12:25:10 GMT 2023
PRIMARY
CAS
3378-72-1
Created by admin on Sat Dec 16 12:25:10 GMT 2023 , Edited by admin on Sat Dec 16 12:25:10 GMT 2023
PRIMARY
FDA UNII
QMD9L6C8U3
Created by admin on Sat Dec 16 12:25:10 GMT 2023 , Edited by admin on Sat Dec 16 12:25:10 GMT 2023
PRIMARY