| CAS Number | 1609403-30-6 |
| Catalog Number | AG00J2FN(AGN-PC-0WRAOJ) |
| Chemical Name | [3-(4H-1,2,4-triazol-4-yl)propyl]amine dihydrochloride |
| IUPAC Name | 3-(1,2,4-triazol-4-yl)propan-1-amine;dihydrochloride |
| InChI | InChI=1S/C5H10N4.2ClH/c6-2-1-3-9-4-7-8-5-9;;/h4-5H,1-3,6H2;2*1H |
| InChI Key | IEDYQJOWDSWOTH-UHFFFAOYSA-N |
| MDL Number | MFCD26959490 |
| Molecular Formula | C5H12Cl2N4 |
| Molecular Weight | 199.0816 |
| SMILES | N1(CCCN)C=NN=C1.Cl.Cl |
| Synonyms | 1609403-30-6,
3-(4H-1,2,4-Triazol-4-yl)propan-1-amine dihydrochloride,
ZX-CM009502,
MFCD26959490,
AKOS027461021,
[3-(4H-1,2,4-triazol-4-yl)propyl]amine dihydrochloride,
3-(4H-1,2,4-Triazol-4-yl)-1-propanamine dihydrochloride,
897054-15-8,
|
| Complexity | 69.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.079g/mol |
| Monoisotopic Mass | 198.044g/mol |
| Rotatable Bond Count | 3 |
| 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