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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H14BrCl2N
Molecular Weight 311.046
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzenemethanamine, 3-bromo-N,N-bis(2-chloroethyl)-

SMILES

ClCCN(CCCl)CC1=CC=CC(Br)=C1

InChI

InChIKey=ZNXPPVUOCIBZAF-UHFFFAOYSA-N
InChI=1S/C11H14BrCl2N/c12-11-3-1-2-10(8-11)9-15(6-4-13)7-5-14/h1-3,8H,4-7,9H2

HIDE SMILES / InChI

Molecular Formula C11H14BrCl2N
Molecular Weight 311.046
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 Fri Dec 15 18:32:17 GMT 2023
Edited
by admin
on Fri Dec 15 18:32:17 GMT 2023
Record UNII
QTY5S6353V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzenemethanamine, 3-bromo-N,N-bis(2-chloroethyl)-
Systematic Name English
Bromo-N,N-bis(2-chloroethyl)benzenemethanamine, 3-
Systematic Name English
m-Bromo-bis(2-chloroethyl)benzylamine
Common Name English
3-Bromo-N,N-bis(2-chloroethyl)benzenemethanamine
Systematic Name English
N,N-Bis(2-chloroethyl)-m-bromobenzylamine
Common Name English
Code System Code Type Description
CAS
2361-59-3
Created by admin on Fri Dec 15 18:32:17 GMT 2023 , Edited by admin on Fri Dec 15 18:32:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID60178274
Created by admin on Fri Dec 15 18:32:17 GMT 2023 , Edited by admin on Fri Dec 15 18:32:17 GMT 2023
PRIMARY
FDA UNII
QTY5S6353V
Created by admin on Fri Dec 15 18:32:17 GMT 2023 , Edited by admin on Fri Dec 15 18:32:17 GMT 2023
PRIMARY
PUBCHEM
16893
Created by admin on Fri Dec 15 18:32:17 GMT 2023 , Edited by admin on Fri Dec 15 18:32:17 GMT 2023
PRIMARY