| CAS Number | 67686-03-7 |
| Catalog Number | AG00FEIS(AGN-PC-0NIXCB) |
| Chemical Name | 1-Benzyl-4-(chloromethyl)piperidine hydrochloride |
| IUPAC Name | 1-benzyl-4-(chloromethyl)piperidine;hydrochloride |
| InChI | InChI=1S/C13H18ClN.ClH/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13;/h1-5,12H,6-11H2;1H |
| InChI Key | PUDJPTGBAQJTQT-UHFFFAOYSA-N |
| MDL Number | MFCD08234789 |
| Molecular Formula | C13H19Cl2N |
| Molecular Weight | 260.2027 |
| NSC Number | 286125 |
| SMILES | N1(CCC(CC1)CCl)CC1=CC=CC=C1.Cl |
| Synonyms | 1-BENZYL-4-(CHLOROMETHYL)PIPERIDINE HYDROCHLORIDE,
67686-03-7,
SCHEMBL7854181,
DTXSID80497818,
ZX-CM009106,
MFCD08234789,
NSC286125,
AKOS015907693,
AB43645,
NSC-286125,
SC-40983,
AX8056737,
FT-0718992,
1-Benzyl-4-chloromethylpiperidine hydrochloride,
I14-27829,
1-Benzyl-4-(chloromethyl)piperidine--hydrogen chloride (1/1),
1-benzyl-4-(chloromethyl)piperidine,
1-BENZYL-4- PIPERIDINEHYDROCHLORIDE,
136704-10-4,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.202g/mol |
| Monoisotopic Mass | 259.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 3.2A^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-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number