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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H20NO2.Cl
Molecular Weight 245.746
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzyl-bis(2-hydroxyethyl)-methylazanium,chloride

SMILES

[Cl-].C[N+](CCO)(CCO)CC1=CC=CC=C1

InChI

InChIKey=GZOXYNSFPWUMOH-UHFFFAOYSA-M
InChI=1S/C12H20NO2.ClH/c1-13(7-9-14,8-10-15)11-12-5-3-2-4-6-12;/h2-6,14-15H,7-11H2,1H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C12H20NO2
Molecular Weight 210.2927
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
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 20:01:23 GMT 2023
Edited
by admin
on Sat Dec 16 20:01:23 GMT 2023
Record UNII
DYZ5KEE6QN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzyl-bis(2-hydroxyethyl)-methylazanium,chloride
Systematic Name English
Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, chloride (1:1)
Systematic Name English
N-Benzyl-2-hydroxy-N-(2-hydroxyethyl)-N-methylethan-1-aminium chloride
Systematic Name English
Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, chloride
Common Name English
Code System Code Type Description
FDA UNII
DYZ5KEE6QN
Created by admin on Sat Dec 16 20:01:23 GMT 2023 , Edited by admin on Sat Dec 16 20:01:23 GMT 2023
PRIMARY
PUBCHEM
14068065
Created by admin on Sat Dec 16 20:01:23 GMT 2023 , Edited by admin on Sat Dec 16 20:01:23 GMT 2023
PRIMARY
CAS
21056-86-0
Created by admin on Sat Dec 16 20:01:23 GMT 2023 , Edited by admin on Sat Dec 16 20:01:23 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT
PARENT -> SALT/SOLVATE