| CAS Number | 1258639-69-8 |
| Catalog Number | AG01AB2Y(AGN-PC-0WOSZA) |
| Chemical Name | (Dimethyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride |
| IUPAC Name | (4,5-dimethyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C5H10N4.2ClH/c1-4-7-8-5(3-6)9(4)2;;/h3,6H2,1-2H3;2*1H |
| InChI Key | KAELDAFSYHVIFS-UHFFFAOYSA-N |
| MDL Number | MFCD17977043 |
| Molecular Formula | C5H12Cl2N4 |
| Molecular Weight | 199.0816 |
| SMILES | Cl.Cl.CC1N(C)C(CN)=NN=1 |
| Synonyms | (dimethyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride,
1258639-69-8,
(4,5-dimethyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride,
AC1Q3AI6,
AKOS008132229,
MCULE-2002187674,
NE50275,
EN300-70323,
|
| Complexity | 95 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.079g/mol |
| Monoisotopic Mass | 198.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number