1-Benzoyl-4-oxopiperidine - CAS 24686-78-0
Catalog: |
BB018582 |
Product Name: |
1-Benzoyl-4-oxopiperidine |
CAS: |
24686-78-0 |
Synonyms: |
1-benzoylpiperidin-4-one |
IUPAC Name: | 1-benzoylpiperidin-4-one |
Description: | 1-Benzoyl-4-piperidone (CAS# 24686-78-0) is a useful research chemical. |
Molecular Weight: | 203.24 |
Molecular Formula: | C12H13NO2 |
Canonical SMILES: | C1CN(CCC1=O)C(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C12H13NO2/c14-11-6-8-13(9-7-11)12(15)10-4-2-1-3-5-10/h1-5H,6-9H2 |
InChI Key: | NZAXGZYPZGEVBD-UHFFFAOYSA-N |
Boiling Point: | 158-160 °C (0.2 torr) |
Purity: | 98.0% |
Density: | 1.188 g/cm3 |
MDL: | MFCD00006189 |
LogP: | 1.42960 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.094628657 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Piperidones
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