| CAS Number | 40679-57-0 |
| Catalog Number | AG00CV5D(AGN-PC-0NICXC) |
| Chemical Name | dimethyl-1H-1,2,3-triazol-1-amine |
| IUPAC Name | 4,5-dimethyltriazol-1-amine |
| InChI | InChI=1S/C4H8N4/c1-3-4(2)8(5)7-6-3/h5H2,1-2H3 |
| InChI Key | LVETYZWBIIYQRR-UHFFFAOYSA-N |
| MDL Number | MFCD09036107 |
| Molecular Formula | C4H8N4 |
| Molecular Weight | 112.1331 |
| SMILES | CC1=C(C)N(N)N=N1 |
| Synonyms | dimethyl-1H-1,2,3-triazol-1-amine,
4,5-Dimethyl-1H-1,2,3-triazol-1-amine,
40679-57-0,
SCHEMBL19594688,
CTK8I6228,
DTXSID10484175,
ZINC39201048,
AKOS004121583,
|
| Complexity | 84.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.136g/mol |
| Monoisotopic Mass | 112.075g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number