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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H11ClN4.ClH
Molecular Weight 247.124
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((6-CHLORO-3-PYRIDINYL)METHYL)-4,5-DIHYDRO-1H-IMIDAZOL-2-AMINE HYDROCHLORIDE

SMILES

Cl.NC1=NCCN1CC2=CC=C(Cl)N=C2

InChI

InChIKey=HAFNUTBIMPVXKF-UHFFFAOYSA-N
InChI=1S/C9H11ClN4.ClH/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11;/h1-2,5H,3-4,6H2,(H2,11,12);1H

HIDE SMILES / InChI

Molecular Formula C9H11ClN4
Molecular Weight 210.663
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:42:34 UTC 2023
Edited
by admin
on Sat Dec 16 09:42:34 UTC 2023
Record UNII
L05ELE578N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((6-CHLORO-3-PYRIDINYL)METHYL)-4,5-DIHYDRO-1H-IMIDAZOL-2-AMINE HYDROCHLORIDE
Systematic Name English
1H-IMIDAZOL-2-AMINE, 1-((6-CHLORO-3-PYRIDINYL)METHYL)-4,5-DIHYDRO-, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60904691
Created by admin on Sat Dec 16 09:42:34 UTC 2023 , Edited by admin on Sat Dec 16 09:42:34 UTC 2023
PRIMARY
CAS
127202-53-3
Created by admin on Sat Dec 16 09:42:34 UTC 2023 , Edited by admin on Sat Dec 16 09:42:34 UTC 2023
PRIMARY
PUBCHEM
14127923
Created by admin on Sat Dec 16 09:42:34 UTC 2023 , Edited by admin on Sat Dec 16 09:42:34 UTC 2023
PRIMARY
FDA UNII
L05ELE578N
Created by admin on Sat Dec 16 09:42:34 UTC 2023 , Edited by admin on Sat Dec 16 09:42:34 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE