| CAS Number | 856862-01-6 |
| Catalog Number | AG00J0TP(AGN-PC-0WOUPW) |
| Chemical Name | 1-(1H-1,2,4-Triazol-5-yl)ethanamine dihydrochloride |
| IUPAC Name | 1-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C4H8N4.2ClH/c1-3(5)4-6-2-7-8-4;;/h2-3H,5H2,1H3,(H,6,7,8);2*1H |
| InChI Key | MXQKUBMTWVPBFS-UHFFFAOYSA-N |
| MDL Number | MFCD28024634 |
| Molecular Formula | C4H10Cl2N4 |
| Molecular Weight | 185.0550 |
| SMILES | C1(C(C)N)NN=CN=1.Cl.Cl |
| Synonyms | 856862-01-6,
[1-(1H-1,2,4-Triazol-5-yl)ethyl]amine dihydrochloride,
1-(1H-1,2,4-Triazol-5-yl)ethanamine dihydrochloride,
1-(1H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride,
MFCD28024634,
AKOS026743985,
MCULE-3215844730,
EN300-95904,
Z1274177567,
317830-80-1,
|
| Complexity | 74.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.052g/mol |
| Monoisotopic Mass | 184.028g/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