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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H13Cl2NO.ClH
Molecular Weight 294.605
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2-HYDROXYETHYL)-N-PROPARGYL-2,4-DICHLOROBENZYLAMINE HYDROCHLORIDE

SMILES

Cl.OCCN(CC#C)CC1=C(Cl)C=C(Cl)C=C1

InChI

InChIKey=UFITZBWNTWHBLQ-UHFFFAOYSA-N
InChI=1S/C12H13Cl2NO.ClH/c1-2-5-15(6-7-16)9-10-3-4-11(13)8-12(10)14;/h1,3-4,8,16H,5-7,9H2;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H13Cl2NO
Molecular Weight 258.144
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 15:05:22 GMT 2023
Edited
by admin
on Fri Dec 15 15:05:22 GMT 2023
Record UNII
F9S5424ZPJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2-HYDROXYETHYL)-N-PROPARGYL-2,4-DICHLOROBENZYLAMINE HYDROCHLORIDE
Systematic Name English
ETHANOL, 2-((2,4-DICHLOROBENZYL)-2-PROPYNYLAMINO)-, HYDROCHLORIDE
Systematic Name English
2-(((2,4-DICHLOROPHENYL)METHYL)-2-PROPYNYLAMINO)ETHANOL HYDROCHLORIDE
Systematic Name English
ETHANOL, 2-(((2,4-DICHLOROPHENYL)METHYL)-2-PROPYNYLAMINO)-, HYDROCHLORIDE
Systematic Name English
ETHANOL, 2-(((2,4-DICHLOROPHENYL)METHYL)-2-PROPYN-1-YLAMINO)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
1630-25-7
Created by admin on Fri Dec 15 15:05:22 GMT 2023 , Edited by admin on Fri Dec 15 15:05:22 GMT 2023
PRIMARY
FDA UNII
F9S5424ZPJ
Created by admin on Fri Dec 15 15:05:22 GMT 2023 , Edited by admin on Fri Dec 15 15:05:22 GMT 2023
PRIMARY
PUBCHEM
23617546
Created by admin on Fri Dec 15 15:05:22 GMT 2023 , Edited by admin on Fri Dec 15 15:05:22 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE