| CAS Number | 1393442-38-0 |
| Catalog Number | AG009X75(AGN-PC-0WA7FE) |
| Chemical Name | 3-(4-Iodopyrazol-1-yl)piperidine, HCl |
| IUPAC Name | 3-(4-iodopyrazol-1-yl)piperidine;hydrochloride |
| InChI | InChI=1S/C8H12IN3.ClH/c9-7-4-11-12(6-7)8-2-1-3-10-5-8;/h4,6,8,10H,1-3,5H2;1H |
| InChI Key | YEPMTOGKIVQIKO-UHFFFAOYSA-N |
| MDL Number | MFCD22383696 |
| Molecular Formula | C8H13ClIN3 |
| Molecular Weight | 313.5664 |
| SMILES | Ic1cnn(c1)C1CCCNC1.Cl |
| Synonyms | 1393442-38-0,
3-(4-IODOPYRAZOL-1-YL)PIPERIDINE, HCL,
3-(4-Iodo-1H-pyrazol-1-yl)piperidine hydrochloride,
C8H13ClIN3,
KM3815,
AKOS027263890,
3-(4-Iodopyrazol-1-yl)piperidine HCl,
V2945,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.567g/mol |
| Monoisotopic Mass | 312.984g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number