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

Name
(R)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one
EINECS
CAS No. 145589-03-3
Article Data32
CAS DataBase
Density 1.152 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₉NO₃
Boiling Point 412.912 °C at 760 mmHg
Molecular Weight 261.321
Flash Point 203.522 °C
Transport Information
Appearance White solid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 46.61000
LogP 2.56050

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

Product Name

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

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

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