| CAS Number | 1258651-61-4 |
| Catalog Number | AG00J2P8(AGN-PC-0WB6VG) |
| Chemical Name | (4-Isopropyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride |
| IUPAC Name | (4-propan-2-yl-1,2,4-triazol-3-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C6H12N4.2ClH/c1-5(2)10-4-8-9-6(10)3-7;;/h4-5H,3,7H2,1-2H3;2*1H |
| InChI Key | BTNVGQOODXFKDC-UHFFFAOYSA-N |
| MDL Number | MFCD17977005 |
| Molecular Formula | C6H14Cl2N4 |
| Molecular Weight | 213.1082 |
| SMILES | NCC1=NN=CN1C(C)C.[H]Cl.[H]Cl |
| Synonyms | 1258651-61-4,
[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methanamine dihydrochloride,
[(4-Isopropyl-4H-1,2,4-triazol-3-yl)methyl]amine dihydrochloride,
(4-Isopropyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride,
3-(Aminomethyl)-4-isopropyl-4H-1,2,4-triazole Dihydrochloride,
AC1Q3A5P,
MFCD17977005,
AKOS026742532,
MCULE-5269206174,
NE16231,
EN300-69979,
Z1263820453,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.106g/mol |
| Monoisotopic Mass | 212.06g/mol |
| Rotatable Bond Count | 2 |
| 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