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145589-03-3

Basic Information
CAS No.: 145589-03-3
Name: (R)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one
Article Data: 32
Molecular Structure:
Molecular Structure of 145589-03-3 ((R)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one)
Formula: C15H19NO3
Molecular Weight: 261.321
Synonyms: 2-Oxazolidinone,3-(3-methyl-1-oxobutyl)-4-(phenylmethyl)-, (R)-;(4R)-4-Benzyl-3-isovaleryloxazolidin-2-one;4R-Benzyl-3-(3-methylbutyryl)oxazolidin-2-one;
Density: 1.152 g/cm3
Boiling Point: 412.912 °C at 760 mmHg
Flash Point: 203.522 °C
Appearance: White solid
Safety: 24/25
PSA: 46.61000
LogP: 2.56050
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  • 2-Oxazolidinone, 3-(3-methyl-1-oxobutyl)-4-(phenylmethyl)-, (R)-

  • Casno:

    145589-03-3

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    2-Oxazolidinone, 3-(3-methyl-1-oxobutyl)-4-(phenylmethyl)-, (R)-

    Min.Order: 10 Gram

    FOB Price:  USD $ 1.0-1.0

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  • (R)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one

  • Casno:

    145589-03-3

    (R)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one

    Min.Order: 1 Gram

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  • (R)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one 145589-03-3

  • Casno:

    145589-03-3

    (R)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one 145589-03-3

    Min.Order: 1 Gram

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  • (R)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one

  • Casno:

    145589-03-3

    (R)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one

    Min.Order: 1 Gram

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  • (R)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one145589-03-3

  • Casno:

    145589-03-3

    (R)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one145589-03-3

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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Specification

The (R)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one is an organic compound with the formula C15H19NO3. The systematic name of this chemical is (4R)-4-benzyl-3-(3-methylbutanoyl)-1,3-oxazolidin-2-one. With the CAS registry number 145589-03-3, it is also named as (4R)-3-(3-Methyl-1-oxobutyl)-4-(phenylmethyl)-2-oxazolidinone. The molecular weight is 261.32.

The other characteristics of (R)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one can be summarized as: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 16.94; (6)ACD/BCF (pH 7.4): 16.94; (7)ACD/KOC (pH 5.5): 263.85; (8)ACD/KOC (pH 7.4): 263.85; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 71.36 cm3; (15)Molar Volume: 226.7 cm3; (16)Polarizability: 28.29×10-24 cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.152 g/cm3; (19)Flash Point: 203.5 °C; (20)Enthalpy of Vaporization: 66.56 kJ/mol; (21)Boiling Point: 412.9 °C at 760 mmHg; (22)Vapour Pressure: 5E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C1OC[C@H](N1C(=O)CC(C)C)Cc2ccccc2
2. InChI:InChI=1/C15H19NO3/c1-11(2)8-14(17)16-13(10-19-15(16)18)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1 
3. InChIKey:JHGXEUXQJIKZMY-CYBMUJFWBT
4. Std. InChI:InChI=1S/C15H19NO3/c1-11(2)8-14(17)16-13(10-19-15(16)18)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1 
5. Std. InChIKey:JHGXEUXQJIKZMY-CYBMUJFWSA-N