CAS No.191090-32-1,(R)-(+)-4-ISOPROPYL-5,5-DIPHENYL-2-OXAZOLIDINONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	191090-32-1
Name:	(R)-(+)-4-ISOPROPYL-5,5-DIPHENYL-2-OXAZOLIDINONE
Article Data:	7

Formula:	C₁₈H₁₉NO₂
Molecular Weight:	281.354
Synonyms:	2-Oxazolidinone,4-(1-methylethyl)-5,5-diphenyl-, (R)-;(R)-4-Isopropyl-5,5-diphenyloxazolidin-2-one;
Density:	1.12 g/cm³
Melting Point:	252-255 °C(lit.)
Boiling Point:	475.7 °C at 760 mmHg
Flash Point:	241.5 °C
Safety:	22-24/25
PSA:	38.33000
LogP:	4.02340

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Specification

The (R)-(+)-4-Isopropyl-5,5-diphenyl-2-oxazolidinone with the CAS number 191090-32-1 is also called 2-Oxazolidinone,4-(1-methylethyl)-5,5-diphenyl-, (4R)-. The systematic name is (4R)-5,5-diphenyl-4-(propan-2-yl)-1,3-oxazolidin-2-one. Its molecular formula is C₁₈H₁₉NO₂. This chemical belongs to the following product categories: (1)Intermediates of Sertraline;Asymmetric Synthesis; (2)Chiral Auxiliaries; (3)Oxazolidinone Derivatives.

The properties of the chemical are: (1)ACD/LogP: 4.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.4; (4)ACD/LogD (pH 7.4): 4.4; (5)ACD/BCF (pH 5.5): 1295.08; (6)ACD/BCF (pH 7.4): 1295.02; (7)ACD/KOC (pH 5.5): 5880.03; (8)ACD/KOC (pH 7.4): 5879.77; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 81.57 cm³; (15)Molar Volume: 251.1 cm³; (16)Polarizability: 32.33×10^-24cm³; (17)Surface Tension: 40.6 dyne/cm; (18)Enthalpy of Vaporization: 73.93 kJ/mol; (19)Vapour Pressure: 3.25×10^-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3OC(c1ccccc1)(c2ccccc2)[C@H](N3)C(C)C
(2)InChI: InChI=1/C18H19NO2/c1-13(2)16-18(21-17(20)19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H,19,20)/t16-/m1/s1
(3)InChIKey: PHTOJBANGYSTOH-MRXNPFEDBE