| CAS Number | 4369-58-8 |
| Catalog Number | AG00DA8S(AGN-PC-0RRWKJ) |
| Chemical Name | [3-(1H-1,2,3-triazol-1-yl)propyl]amine dihydrochloride |
| IUPAC Name | 3-(triazol-1-yl)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C5H10N4.ClH/c6-2-1-4-9-5-3-7-8-9;/h3,5H,1-2,4,6H2;1H |
| InChI Key | DXWCOIOXOMZWJD-UHFFFAOYSA-N |
| MDL Number | MFCD03840808 |
| Molecular Formula | C5H12Cl2N4 |
| Molecular Weight | 199.0816 |
| SMILES | N1N(CCCN)C=CN=1.Cl.Cl |
| Synonyms | 1-(3-Aminopropyl)-1H-1,2,3 triazole hydrochloride,
4369-58-8,
3-(1H-1,2,3-triazol-1-yl)propan-1-amine hydrochloride,
AKOS026747169,
W-2699,
C-43910,
1-(3-Aminopropyl)-1h-1,2,3-triazole hydrochloride,
F2167-1476,
4321-02-2,
|
| Complexity | 75.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.621g/mol |
| Monoisotopic Mass | 162.067g/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