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24860-77-3

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Basic Information
CAS No.: 24860-77-3
Name: 1-Hydroxy-1,1-diphenyl-4-piperidino-2-butanone
Molecular Structure:
Molecular Structure of 24860-77-3 (1-Hydroxy-1,1-diphenyl-4-piperidino-2-butanone)
Formula: C21H25NO2
Molecular Weight: 323.435
Synonyms: 2-Butanone,1-hydroxy-1,1-diphenyl-4-piperidino- (8CI);2-Butanone,1-hydroxy-1,1-diphenyl-4-(1-piperidinyl)-;
Density: 1.125g/cm3
Boiling Point: 482.1°Cat760mmHg
Flash Point: 245.4°C
PSA: 40.54000
LogP: 3.30550
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Chemistry

Molecular Structure of 2-Butanone, 1,1-diphenyl-1-hydroxy-4-piperidino- (CAS NO.24860-77-3):

IUPAC Name: 1-Hydroxy-1,1-diphenyl-4-piperidin-1-ylbutan-2-one
Canonical SMILES: C1CCN(CC1)CCC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI: InChI=1S/C21H25NO2/c23-20(14-17-22-15-8-3-9-16-22)21(24,
18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,24H,3,8-9,14-17H2
InChIKey: NHQUCELQNYNWER-UHFFFAOYSA-N
Molecular Weight 323.4287 [g/mol]
Molecular Formula: C21H25NO2
XLogP3-AA: 3.3
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Tautomer Count: 2
Exact Mass: 323.188529
MonoIsotopic Mass: 323.188529
Topological Polar Surface Area: 40.5
Heavy Atom Count: 24
Complexity: 373 
Index of Refraction: 1.577
Molar Refractivity: 95.23 cm3
Molar Volume: 287.3 cm3
Surface Tension: 47.2 dyne/cm
Density: 1.125 g/cm3
Flash Point: 245.4 °C
Enthalpy of Vaporization: 78.68 kJ/mol
Boiling Point: 482.1 °C at 760 mmHg
Vapour Pressure: 4.19E-10 mmHg at 25 °C
Classification Code:  Drug / Therapeutic Agent

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 132mg/kg (132mg/kg)   Russian Pharmacology and Toxicology Vol. 32, Pg. 311, 1969.

Specification

  2-Butanone, 1,1-diphenyl-1-hydroxy-4-piperidino- (CAS NO.24860-77-3), its Synonyms are 2-Butanone,1-hydroxy-1,1-diphenyl-4-(1-piperidinyl)- ; 2-Butanone,1-hydroxy-1,1-diphenyl-4-piperidino- (8CI) ; 1-Hydroxy-1,1-diphenyl-4-piperidino-2-butanone ; 1,1-Diphenyl-1-hydroxy-4-piperidino-2-butanone .