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

Details

Stereochemistry RACEMIC
Molecular Formula C13H17N3.ClH
Molecular Weight 251.755
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(1,2,3,4-TETRAHYDRO-1-NAPHTHYLAMINO)-2-IMIDAZOLINE HYDROCHLORIDE

SMILES

Cl.C1CN=C(NC2CCCC3=CC=CC=C23)N1

InChI

InChIKey=FXPPZXZSSBRGQL-UHFFFAOYSA-N
InChI=1S/C13H17N3.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13;/h1-2,4,6,12H,3,5,7-9H2,(H2,14,15,16);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 C13H17N3
Molecular Weight 215.2942
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:10:14 GMT 2023
Edited
by admin
on Sat Dec 16 12:10:14 GMT 2023
Record UNII
4MJZ3RG16P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(1,2,3,4-TETRAHYDRO-1-NAPHTHYLAMINO)-2-IMIDAZOLINE HYDROCHLORIDE
Systematic Name English
2-IMIDAZOLINE, 2-((1,2,3,4-TETRAHYDRO-1-NAPHTHYL)AMINO)-, HYDROCHLORIDE
Systematic Name English
KB-227
Code English
1H-IMIDAZOL-2-AMINE, 4,5-DIHYDRO-N-(1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
2-IMIDAZOLINE, 2-(1,2,3,4-TETRAHYDRO-1-NAPHTHYLAMINO)-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
5254-29-5
Created by admin on Sat Dec 16 12:10:14 GMT 2023 , Edited by admin on Sat Dec 16 12:10:14 GMT 2023
PRIMARY
PUBCHEM
21323
Created by admin on Sat Dec 16 12:10:14 GMT 2023 , Edited by admin on Sat Dec 16 12:10:14 GMT 2023
PRIMARY
FDA UNII
4MJZ3RG16P
Created by admin on Sat Dec 16 12:10:14 GMT 2023 , Edited by admin on Sat Dec 16 12:10:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID60966971
Created by admin on Sat Dec 16 12:10:14 GMT 2023 , Edited by admin on Sat Dec 16 12:10:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE