| CAS Number | 1373028-17-1 |
| Catalog Number | AG001329(AGN-PC-0WCX7O) |
| Chemical Name | 4-(3-Chlorobenzyl)piperidine monohydrochloride |
| IUPAC Name | 4-[(3-chlorophenyl)methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C12H16ClN.ClH/c13-12-3-1-2-11(9-12)8-10-4-6-14-7-5-10;/h1-3,9-10,14H,4-8H2;1H |
| InChI Key | KWLLXYLZQJJISJ-UHFFFAOYSA-N |
| MDL Number | MFCD22209856 |
| Molecular Formula | C12H17Cl2N |
| Molecular Weight | 246.1761 |
| SMILES | ClC1=CC(CC2CCNCC2)=CC=C1.[H]Cl |
| Synonyms | 1373028-17-1,
4-(3-CHLOROBENZYL)PIPERIDINE hydrochloride,
4-(3-Chlorobenzyl)piperidine HCl,
4-(3-Chlorobenzyl)piperidine monohydrochloride,
SCHEMBL18280203,
KS-00001A1W,
MFCD22209856,
AM805588,
Piperidine, 4-[(3-chlorophenyl)methyl]-, hydrochloride (1:1),
4-[(3-chlorophenyl)methyl]piperidine;hydrochloride,
251107-31-0,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.175g/mol |
| Monoisotopic Mass | 245.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number