| CAS Number | 1303968-15-1 |
| Catalog Number | AG000UCW(AGN-PC-0WANIU) |
| Chemical Name | 1-Benzyl-4-methyl-piperidin-3-one hydrochloride |
| IUPAC Name | 1-benzyl-4-methylpiperidin-3-one;hydrochloride |
| InChI | InChI=1S/C13H17NO.ClH/c1-11-7-8-14(10-13(11)15)9-12-5-3-2-4-6-12;/h2-6,11H,7-10H2,1H3;1H |
| InChI Key | PZBKCGGUKLHTJJ-UHFFFAOYSA-N |
| MDL Number | MFCD18914352 |
| Molecular Formula | C13H18ClNO |
| Molecular Weight | 239.7411 |
| SMILES | O=C1CN(CC2=CC=CC=C2)CCC1C.[H]Cl |
| Synonyms | 1-Benzyl-4-methylpiperidin-3-one hydrochloride,
1303968-15-1,
1-BENZYL-4-METHYL-PIPERIDIN-3-ONE HYDROCHLORIDE,
AK166893,
1-Benzyl-4-methyl-3-piperidinone Hydrochloride,
KS-000006FC,
9711AH,
AKOS025286033,
DS-9192,
SY115046,
CS-0052603,
MFCD18914352 (98%),
1-BENZYL-4-METHYL-PIPERIDIN-3-ONE HCL,
Z-5806,
3-Piperidinone, 4-methyl-1-(phenylmethyl)-, hydrochloride (1:1),
C13H17NO.HCl,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.107692g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.74g/mol |
| Monoisotopic Mass | 239.107692g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| 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