| CAS Number | 1269379-00-1 |
| Catalog Number | AG00J1IS(AGN-PC-0WB6VX) |
| Chemical Name | [(4-Isopropyl-4H-1,2,4-triazol-3-yl)methyl]methylamine dihydrochloride |
| IUPAC Name | N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C7H14N4.2ClH/c1-6(2)11-5-9-10-7(11)4-8-3;;/h5-6,8H,4H2,1-3H3;2*1H |
| InChI Key | GFAWCGYKVBKYQX-UHFFFAOYSA-N |
| MDL Number | MFCD18483406 |
| Molecular Formula | C7H16Cl2N4 |
| Molecular Weight | 227.1347 |
| SMILES | Cl.Cl.CNCC1N(C(C)C)C=NN=1 |
| Synonyms | 1269379-00-1,
[(4-Isopropyl-4H-1,2,4-triazol-3-yl)methyl]methylamine dihydrochloride,
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)-N-methylmethanamine dihydrochloride,
ZX-CM004662,
MFCD18483406,
AKOS027426329,
MCULE-9276315610,
EN300-222194,
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)-N-methylmethanamine dihydrochloride, AldrichCPR,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.133g/mol |
| Monoisotopic Mass | 226.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number