| CAS Number | 1255717-16-8 |
| Catalog Number | AG00J1IM(AGN-PC-0WB6VZ) |
| Chemical Name | 1-(4-Propyl-4H-1,2,4-triazol-3-yl)ethanamine dihydrochloride |
| IUPAC Name | 1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C7H14N4.2ClH/c1-3-4-11-5-9-10-7(11)6(2)8;;/h5-6H,3-4,8H2,1-2H3;2*1H |
| InChI Key | FOUIXVIFXXONEL-UHFFFAOYSA-N |
| MDL Number | MFCD13186211 |
| Molecular Formula | C7H16Cl2N4 |
| Molecular Weight | 227.1347 |
| SMILES | C1(C(C)N)=NN=CN1CCC.Cl.Cl |
| Synonyms | 1255717-16-8,
[1-(4-Propyl-4H-1,2,4-triazol-3-yl)ethyl]amine dihydrochloride,
1-(4-Propyl-4H-1,2,4-triazol-3-yl)ethanamine dihydrochloride,
ZX-CM004664,
MFCD13186211,
AKOS027426195,
MCULE-6854298213,
1-(4-Propyl-4H-1,2,4-triazol-3-yl)ethanamine dihydrochloride, AldrichCPR,
|
| Complexity | 117 |
| 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 | 3 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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