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282735-66-4

Basic Information
CAS No.: 282735-66-4
Name: (5R,6S)-5,6-Diphenyl-2-morpholinone
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 282735-66-4 ((5R,6S)-5,6-Diphenyl-2-morpholinone)
Formula: C16H15NO2
Molecular Weight: 253.301
Synonyms: (5R,6S)-2,3,5,6-Tetrahydro-5,6- diphenyl-1,4-oxazin;
EINECS: N/A
Density: 1.159 g/cm3
Melting Point: 139-141 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Boiling Point: 444 °C at 760 mmHg
Flash Point: 222.3 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 38.33000
LogP: 2.94420
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    (5R,6S)-5,6-Diphenyl-2-morpholinone

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  • (5R,6S)-5,6-Diphenyl-2-Morpholinone

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    (5R,6S)-5,6-Diphenyl-2-Morpholinone

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Specification

The IUPAC name of (5R,6S)-5,6-Diphenyl-2-morpholinone is (5R,6S)-5,6-diphenylmorpholin-2-one. With the CAS registry number 282735-66-4, it is also named as (5R,6S)-2,3,5,6-Tetrahydro-5,6- diphenyl-1,4-oxazin. The product's categories are Heterocycles; API intermediates; Chiral Reagents. In addition, its molecular formula is C16H15NO2 and molecular weight is 253.30.

The other characteristics of (5R,6S)-5,6-Diphenyl-2-morpholinone can be summarized as: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 11.43; (6)ACD/BCF (pH 7.4): 28.34; (7)ACD/KOC (pH 5.5): 152.97; (8)ACD/KOC (pH 7.4): 379.27; (9)H bond acceptors: 3; (10)H bond donors: 1; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 72.41 cm3; (15)Molar Volume: 218.3 cm3; (16)Polarizability: 28.7×10-24cm3; (17)Surface Tension: 42.5 dyne/cm; (18)Density: 1.159 g/cm3; (19)Flash Point: 222.3 °C; (20)Enthalpy of Vaporization: 70.18 kJ/mol; (21)Boiling Point: 444 °C at 760 mmHg; (22)Vapour Pressure: 4.42E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C3O[C@@H](c1ccccc1)[C@@H](c2ccccc2)NC3
(2)InChI:InChI=1/C16H15NO2/c18-14-11-17-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-10,15-17H,11H2/t15-,16+/m1/s1
(3)InChIKey:LTPOSIZJPSDSIL-CVEARBPZBR
(4)Std. InChI:InChI=1S/C16H15NO2/c18-14-11-17-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-10,15-17H,11H2/t15-,16+/m1/s1
(5)Std. InChIKey:LTPOSIZJPSDSIL-CVEARBPZSA-N