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

Name
4-Benzyl-3-(3-methyl-butyryl)-oxazolidin-2-one
EINECS
CAS No. 104266-90-2
Article Data20
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
Safety 26-36/37/39
Risk Codes 36-43
Molecular Structure
Hazard Symbols
Synonyms 2-Oxazolidinone,3-(3-methyl-1-oxobutyl)-4-(phenylmethyl)-, (S)-;(4S)-4-Benzyl-3-isovaleryloxazolidin-2-one;
PSA 46.61000
LogP 2.56050

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

The (S)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one with the CAS number 104266-90-2 is also called 2-Oxazolidinone,3-(3-methyl-1-oxobutyl)-4-(phenylmethyl)-, (4S)-. The systematic name is (4S)-4-benzyl-3-(3-methylbutanoyl)-1,3-oxazolidin-2-one. Its molecular formula is C₁₅H₁₉NO₃. The product category is Heterocyclic Building Blocks.

The properties of the (S)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one are: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 264; (8)ACD/KOC (pH 7.4): 264; (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: 1.542; (14)Molar Refractivity: 71.367 cm³; (15)Molar Volume: 226.768 cm³; (16)Polarizability: 28.292×10^-24cm³; (17)Surface Tension: 45.105 dyne/cm; (18)Enthalpy of Vaporization: 66.561 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular 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-/m0/s1
(3)InChIKey: JHGXEUXQJIKZMY-ZDUSSCGKBY

Product Name

4-Benzyl-3-(3-methyl-butyryl)-oxazolidin-2-one

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

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