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234757-27-8

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Basic Information
CAS No.: 234757-27-8
Name: 4-Piperidinone,1-(phenylmethyl)-3-[(triphenylmethoxy)methyl]-
Article Data: 1
Molecular Structure:
Molecular Structure of 234757-27-8 (4-Piperidinone,1-(phenylmethyl)-3-[(triphenylmethoxy)methyl]-)
Formula: C32H31NO2
Molecular Weight: 461.604
Synonyms: 1-Benzyl-3-[(trityloxy)methyl]piperidin-4-one;
Density: 1.143 g/cm3
Boiling Point: 588.485 °C at 760 mmHg
Flash Point: 309.705 °C
PSA: 29.54000
LogP: 6.02420
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Specification

This chemical is called 1-(Phenylmethyl)-3-[(triphenylmethoxy)methyl]-4-piperidinone, and its systematic name is 1-benzyl-3-[(trityloxy)methyl]piperidin-4-one. With the molecular formula of C32H31NO2, its molecular weight is 461.60. In addition, the CAS registry number of this chemical is 234757-27-8. 

Other characteristics of the 1-(Phenylmethyl)-3-[(triphenylmethoxy)methyl]-4-piperidinone can be summarised as followings: (1)ACD/LogP: 7.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.31; (4)ACD/LogD (pH 7.4): 7.35; (5)ACD/BCF (pH 5.5): 20043.47; (6)ACD/BCF (pH 7.4): 218924.25; (7)ACD/KOC (pH 5.5): 20369.33; (8)ACD/KOC (pH 7.4): 222483.42; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 139.84 cm3; (15)Molar Volume: 403.9 cm3; (16)Polarizability: 55.44×10-24cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.142 g/cm3; (19)Flash Point: 309.7 °C; (20)Enthalpy of Vaporization: 87.85 kJ/mol; (21)Boiling Point: 588.5 °C at 760 mmHg; (22)Vapour Pressure: 7.92E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C5CCN(Cc1ccccc1)CC5COC(c2ccccc2)(c3ccccc3)c4ccccc4 
(2)InChI: InChI=1/C32H31NO2/c34-31-21-22-33(23-26-13-5-1-6-14-26)24-27(31)25-35-32(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,27H,21-25H2
(3)InChIKey: XKHKBVKPGDXSPY-UHFFFAOYAH