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4-Piperidinone,2-methyl-1-[(1S)-1-phenylethyl]-, (2R)-

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Name

4-Piperidinone,2-methyl-1-[(1S)-1-phenylethyl]-, (2R)-

EINECS N/A
CAS No. 103539-61-3 Density 1.037 g/cm3
PSA 20.31000 LogP 2.73890
Solubility N/A Melting Point N/A
Formula C14H19NO Boiling Point 319.118 °C at 760 mmHg
Molecular Weight 217.31 Flash Point 137.366 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 103539-61-3 ((R)-2-methyl-1-((s)-1-phenylethyl)piperidin-4-one) Hazard Symbols N/A
Synonyms

4-Piperidinone,2-methyl-1-(1-phenylethyl)-, [R-(R*,S*)]-;N-(1-(S)-Phenylethyl)-2-(R)-methylpiperidin-4-one;

 

4-Piperidinone,2-methyl-1-[(1S)-1-phenylethyl]-, (2R)- Specification

This chemical is called 4-Piperidinone,2-methyl-1-[(1S)-1-phenylethyl]-, (2R)-, and its systematic name is (2R)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one. With the molecular formula of C14H19NO, its molecular weight is 217.31. The CAS registry number of this chemical is 103539-61-3.

Other characteristics of the 4-Piperidinone,2-methyl-1-[(1S)-1-phenylethyl]-, (2R)- can be summarised as followings: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.174; (4)ACD/LogD (pH 7.4): 2.659; (5)ACD/BCF (pH 5.5): 1.796; (6)ACD/BCF (pH 7.4): 54.861; (7)ACD/KOC (pH 5.5): 17.383; (8)ACD/KOC (pH 7.4): 531.053; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 65.266 cm3; (15)Molar Volume: 209.562 cm3; (16)Polarizability: 25.873×10-24cm3; (17)Surface Tension: 38.523 dyne/cm; (18)Density: 1.037 g/cm3; (19)Flash Point: 137.366 °C; (20)Enthalpy of Vaporization: 56.068 kJ/mol; (21)Boiling Point: 319.118 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C

You can still convert the following datas into molecular structure:
1.SMILES: C[C@@H]1CC(=O)CCN1[C@@H](C)c2ccccc2
2.InChI: InChI=1/C14H19NO/c1-11-10-14(16)8-9-15(11)12(2)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12+/m1/s1
3.InChIKey: XOGIRAQPVLKDBV-NEPJUHHUBN

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