| CAS Number | 1609409-13-3 |
| Catalog Number | AG00J2QV(AGN-PC-0WB73K) |
| Chemical Name | 3-(4H-1,2,4-Triazol-3-yl)piperidine dihydrochloride |
| IUPAC Name | 3-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride |
| InChI | InChI=1S/C7H12N4.2ClH/c1-2-6(4-8-3-1)7-9-5-10-11-7;;/h5-6,8H,1-4H2,(H,9,10,11);2*1H |
| InChI Key | ZTLPZOURBMRYNB-UHFFFAOYSA-N |
| MDL Number | MFCD28024781 |
| Molecular Formula | C7H14Cl2N4 |
| Molecular Weight | 225.1189 |
| SMILES | C1(C2CCCNC2)NC=NN=1.Cl.Cl |
| Synonyms | 3-(4H-1,2,4-Triazol-3-yl)piperidine dihydrochloride,
1609409-13-3,
ZX-CM010455,
MFCD28024781,
AKOS027426752,
3-(4H-1,2,4-Triazol-3-yl)piperidine dihydrochloride, AldrichCPR,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.117g/mol |
| Monoisotopic Mass | 224.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number