CAS No.103539-61-3,(R)-2-methyl-1-((s)-1-phenylethyl)piperidin-4-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103539-61-3
Name:	(R)-2-methyl-1-((s)-1-phenylethyl)piperidin-4-one

Formula:	C₁₄H₁₉NO
Molecular Weight:	217.31
Synonyms:	4-Piperidinone,2-methyl-1-(1-phenylethyl)-, [R-(R,S)]-;N-(1-(S)-Phenylethyl)-2-(R)-methylpiperidin-4-one;
Density:	1.037 g/cm³
Boiling Point:	319.118 °C at 760 mmHg
Flash Point:	137.366 °C
PSA:	20.31000
LogP:	2.73890

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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