| CAS Number | 1185301-67-0 |
| Catalog Number | AG00HELM(AGN-PC-0WBPPB) |
| Chemical Name | 2-(1H-Pyrazol-3-yl)piperidine hydrochloride |
| IUPAC Name | 2-(1H-pyrazol-5-yl)piperidine;hydrochloride |
| InChI | InChI=1S/C8H13N3.ClH/c1-2-5-9-7(3-1)8-4-6-10-11-8;/h4,6-7,9H,1-3,5H2,(H,10,11);1H |
| InChI Key | ZRTNBFCDUUKTRV-UHFFFAOYSA-N |
| MDL Number | MFCD12028531 |
| Molecular Formula | C8H14ClN3 |
| Molecular Weight | 187.6699 |
| SMILES | Cl.N1N=C(C=C1)C1NCCCC1 |
| Synonyms | 2-(1H-Pyrazol-3-yl)-piperidine hydrochloride,
2-(1H-pyrazol-3-yl)piperidine hydrochloride,
1185301-67-0,
CTK5J6782,
0438AD,
AKOS006317193,
TR-061687,
EN300-208598,
2-(1H-Pyrazol-3-yl)-piperidine hydrochloride????,
C8H14ClN3,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.671g/mol |
| Monoisotopic Mass | 187.088g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number