| CAS Number | 1255718-18-3 |
| Catalog Number | AG00J1IT(AGN-PC-0WB6W0) |
| Chemical Name | 1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)ethanamine dihydrochloride |
| IUPAC Name | 1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C7H14N4.2ClH/c1-5(2)11-4-9-10-7(11)6(3)8;;/h4-6H,8H2,1-3H3;2*1H |
| InChI Key | XRHWWCAVKZXXBK-UHFFFAOYSA-N |
| MDL Number | MFCD13186212 |
| Molecular Formula | C7H16Cl2N4 |
| Molecular Weight | 227.1347 |
| SMILES | N1(C(C)C)C=NN=C1C(C)N.Cl.Cl |
| Synonyms | 1255718-18-3,
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)ethanamine dihydrochloride,
[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]amine dihydrochloride,
ZX-CM004665,
MFCD13186212,
AKOS027426233,
MCULE-6791325984,
4016243-25G,
4016243-50G,
4016243-100G,
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)ethanamine dihydrochloride, AldrichCPR,
|
| Complexity | 126 |
| 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 | 2 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number