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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H11N3
Molecular Weight 125.1716
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methylhistamine

SMILES

CN1C=NC=C1CCN

InChI

InChIKey=CPAGZVLINCPJEH-UHFFFAOYSA-N
InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3

HIDE SMILES / InChI

Molecular Formula C6H11N3
Molecular Weight 125.1716
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 15:18:55 GMT 2023
Edited
by admin
on Sat Dec 16 15:18:55 GMT 2023
Record UNII
XAF2U6Z4G7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Methylhistamine
Common Name English
1H-Imidazole-5-ethanamine, 1-methyl-
Systematic Name English
1-Methyl-1H-imidazole-5-ethanamine
Systematic Name English
2-(3-Methylimidazol-4-yl)ethanamine
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10214651
Created by admin on Sat Dec 16 15:18:55 GMT 2023 , Edited by admin on Sat Dec 16 15:18:55 GMT 2023
PRIMARY
FDA UNII
XAF2U6Z4G7
Created by admin on Sat Dec 16 15:18:55 GMT 2023 , Edited by admin on Sat Dec 16 15:18:55 GMT 2023
PRIMARY
PUBCHEM
69520
Created by admin on Sat Dec 16 15:18:55 GMT 2023 , Edited by admin on Sat Dec 16 15:18:55 GMT 2023
PRIMARY
CAS
644-42-8
Created by admin on Sat Dec 16 15:18:55 GMT 2023 , Edited by admin on Sat Dec 16 15:18:55 GMT 2023
PRIMARY