| CAS Number | 1305712-06-4 |
| Catalog Number | AG01ABJB(AGN-PC-0WC65P) |
| Chemical Name | 4-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]piperidine dihydrochloride |
| IUPAC Name | 4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine;dihydrochloride |
| InChI | InChI=1S/C10H18N4.2ClH/c1-8(2)14-7-12-13-10(14)9-3-5-11-6-4-9;;/h7-9,11H,3-6H2,1-2H3;2*1H |
| InChI Key | VETFLMZSJIMTIU-UHFFFAOYSA-N |
| MDL Number | MFCD18089418 |
| Molecular Formula | C10H20Cl2N4 |
| Molecular Weight | 267.1986 |
| SMILES | Cl.Cl.CC(N1C(C2CCNCC2)=NN=C1)C |
| Synonyms | 4-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]piperidine dihydrochloride,
1305712-06-4,
4-(4-isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride,
AC1Q3A5N,
MFCD18089418,
AKOS027442543,
MCULE-9721138468,
EN300-71834,
Z1266823247,
4-(4-isopropyl-1,2,4-triazol-3-yl)piperidine dihydrochloride,
4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidinedihydrochloride,
1249273-72-0,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.198g/mol |
| Monoisotopic Mass | 266.107g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number