| CAS Number | 99839-36-8 |
| Catalog Number | AG00IKC6(AGN-PC-0WB7QG) |
| Chemical Name | 3-(2-Aminoethyl)-1h-1,2,4-triazol-5-amine diHCl |
| IUPAC Name | 5-(2-aminoethyl)-1H-1,2,4-triazol-3-amine;dihydrochloride |
| InChI | InChI=1S/C4H9N5.2ClH/c5-2-1-3-7-4(6)9-8-3;;/h1-2,5H2,(H3,6,7,8,9);2*1H |
| InChI Key | WNKJGECUPKBBPV-UHFFFAOYSA-N |
| MDL Number | MFCD00460101 |
| Molecular Formula | C4H11Cl2N5 |
| Molecular Weight | 200.0696 |
| SMILES | N1C(CCN)=NNC=1N.Cl.Cl |
| Synonyms | 3-(2-Aminoethyl)-1H-1,2,4-triazol-5-amine dihydrochloride,
99839-36-8,
5-Amino-3-(2-aminoethyl)-1H-1,2,4-triazole dihydrochloride,
5-(2-Aminoethyl)-1H-1,2,4-triazol-3-amine dihydrochloride,
CTK7E7631,
MFCD00460101,
MFCD20441445,
AKOS024397033,
NE60395,
3-(2-Aminoethyl)-1h-1,2,4-triazol-5-amine diHCl,
F0451-0452,
56436-29-4,
|
| Complexity | 85 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.067g/mol |
| Monoisotopic Mass | 199.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 93.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number