| CAS Number | 1427379-43-8 |
| Catalog Number | AG01A3WD(AGN-PC-0WOT1R) |
| Chemical Name | 1-(1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C4H8N4.ClH/c1-3(5)4-6-2-7-8-4;/h2-3H,5H2,1H3,(H,6,7,8);1H |
| InChI Key | YLKSYIPVPZDDQY-UHFFFAOYSA-N |
| MDL Number | MFCD23144135 |
| Molecular Formula | C4H9ClN4 |
| Molecular Weight | 148.5941 |
| SMILES | Cl.CC(C1=NNC=N1)N |
| Synonyms | 1-(1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride,
1427379-43-8,
SCHEMBL16829164,
SCHEMBL20568213,
AKOS026742860,
NE26985,
|
| Complexity | 74.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.594g/mol |
| Monoisotopic Mass | 148.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number