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16250-90-1

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Basic Information
CAS No.: 16250-90-1
Name: 2-ethyl-3-phenyl-1,3-oxazolidine
Article Data: 3
Molecular Structure:
Molecular Structure of 16250-90-1 (2-ethyl-3-phenyl-1,3-oxazolidine)
Formula: C11H15NO
Molecular Weight: 177.246
Synonyms: 2-Ethyl-3-phenyl-1,3-oxazolidine;
Density: 1.027 g/cm3
Boiling Point: 279.186 °C at 760 mmHg
Flash Point: 82.12 °C
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Specification

The CAS registry number of 2-Ethyl-3-phenyl-oxazolidine is 16250-90-1. This chemical's molecular formula is C11H15NO and molecular weight is 177.24. What's more, its systematic name is called 2-Ethyl-3-phenyl-1,3-oxazolidine.

Physical properties about 2-Ethyl-3-phenyl-oxazolidine are: (1)ACD/LogP: 2.195; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.20; (5)ACD/BCF (pH 5.5): 26.24; (6)ACD/BCF (pH 7.4): 27.43; (7)ACD/KOC (pH 5.5): 356.27; (8)ACD/KOC (pH 7.4): 372.40; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 52.778 cm3; (15)Molar Volume: 172.578 cm3; (16)Polarizability: 20.923×10-24cm3; (17)Surface Tension: 34.776 dyne/cm; (18)Density: 1.027 g/cm3; (19)Flash Point: 82.12 °C; (20)Enthalpy of Vaporization: 51.785 kJ/mol; (21)Boiling Point: 279.186 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O2CCN(c1ccccc1)C2CC
(2) InChI: InChI=1S/C11H15NO/c1-2-11-12(8-9-13-11)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
(3) InChIKey: QIICZNOTHCHIRD-UHFFFAOYSA-N