| CAS Number | 690261-87-1 |
| Catalog Number | AG00IBWC(AGN-PC-0TUB3H) |
| Chemical Name | 4-(Pyrazol-1-yl)piperidine hydrochloride |
| IUPAC Name | 4-pyrazol-1-ylpiperidine;hydrochloride |
| InChI | InChI=1S/C8H13N3.ClH/c1-4-10-11(7-1)8-2-5-9-6-3-8;/h1,4,7-9H,2-3,5-6H2;1H |
| InChI Key | QRJCGVNDIQCAAA-UHFFFAOYSA-N |
| MDL Number | MFCD15072073 |
| Molecular Formula | C8H14ClN3 |
| Molecular Weight | 187.6699 |
| SMILES | Cl.C1NCCC(N2N=CC=C2)C1 |
| Synonyms | 4-(1H-pyrazol-1-yl)piperidine hydrochloride,
690261-87-1,
SCHEMBL2801336,
QRJCGVNDIQCAAA-UHFFFAOYSA-N,
AKOS016352956,
MCULE-2230757288,
NE48453,
4-(Pyrazol-1-yl)piperidine hydrochloride,
Piperidine, 4-(1H-pyrazol-1-yl)-, monohydrochloride,
4-Pyrazol-1-ylpiperidine hydrochloride,
|
| Complexity | 121 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.671g/mol |
| Monoisotopic Mass | 187.088g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number