| CAS Number | 1311315-75-9 |
| Catalog Number | AG00A0UT(AGN-PC-0WOUXP) |
| Chemical Name | 3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine dihydrochloride |
| IUPAC Name | 3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride |
| InChI | InChI=1S/C8H14N4.2ClH/c9-5-1-2-7-10-8(12-11-7)6-3-4-6;;/h6H,1-5,9H2,(H,10,11,12);2*1H |
| InChI Key | CSNYCJQHMVNDKX-UHFFFAOYSA-N |
| MDL Number | MFCD18483232 |
| Molecular Formula | C8H16Cl2N4 |
| Molecular Weight | 239.1454 |
| SMILES | Cl.Cl.NCCCC1NN=C(C2CC2)N=1 |
| Synonyms | 3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine dihydrochloride,
1311315-75-9,
AKOS008146559,
MCULE-1745304630,
EN300-73917,
Z1266933817,
1H-1,2,4-Triazole-3-propanamine, 5-cyclopropyl-, hydrochloride,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.144g/mol |
| Monoisotopic Mass | 238.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number