Molecular Structure of 2-Pentanone, 1,1-diphenyl-1-hydroxy-5-piperidino- (CAS NO.24860-78-4):
IUPAC Name: 1-Hydroxy-1,1-diphenyl-5-piperidin-1-ylpentan-2-one
Canonical SMILES: C1CCN(CC1)CCCC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI: InChI=1S/C22H27NO2/c24-21(15-10-18-23-16-8-3-9-17-23)22(25,19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-2,4-7,11-14,25H,3,8-10,15-18H2
InChIKey: VRMXLTBRJQANCL-UHFFFAOYSA-N
Molecular Weight: 337.45528 [g/mol]
Molecular Formula: C22H27NO2
XLogP3-AA: 3.6
H-Bond Donor: 1
H-Bond Acceptor: 3
Index of Refraction: 1.571
Molar Refractivity: 99.87 cm3
Molar Volume: 303.8 cm3
Surface Tension: 46.4 dyne/cm
Density: 1.11 g/cm3
Flash Point: 254.9 °C
Enthalpy of Vaporization: 80.67 kJ/mol
Boiling Point: 497.9 °C at 760 mmHg
Vapour Pressure: 9.82E-11 mmHg at 25 °C
Classification Code: Drug / Therapeutic Agent
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 142mg/kg (142mg/kg) | Russian Pharmacology and Toxicology Vol. 32, Pg. 311, 1969. |
2-Pentanone, 1,1-diphenyl-1-hydroxy-5-piperidino- (CAS NO.24860-78-4), its Synonyms are 2-Pentanone,1-hydroxy-1,1-diphenyl-5-piperidino- (8CI) ; 1,1-Diphenyl-1-hydroxy-5-piperidino-2-pentanone ; 1-Hydroxy-1,1-diphenyl-5-piperidino-2-pentanone .
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