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85237-70-3

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Basic Information
CAS No.: 85237-70-3
Name: 3-ethyl-2-phenylpyridine
Article Data: 3
Molecular Structure:
Molecular Structure of 85237-70-3 (3-ethyl-2-phenylpyridine)
Formula: C13H13N
Molecular Weight: 183.253
Synonyms: 3-Ethyl-2-phenylpyridine;
EINECS: 286-431-7
Density: 1.013 g/cm3
Boiling Point: 313.1 °C at 760 mmHg
Flash Point: 133.8 °C
PSA: 12.89000
LogP: 3.31100
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    3-ETHYL-2-PHENYLPYRIDINEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The CAS registry number of 3-Ethyl-2-phenyl-pyridine is 85237-70-3. Its EINECS registry number is 286-431-7. This chemical's molecular formula is C13H13N and molecular weight is 183.24902. What's more, both its IUPAC name and systematic name are the same which is called 3-Ethyl-2-phenylpyridine.

Physical properties about 3-Ethyl-2-phenyl-pyridine are: (1) ACD/LogP: 3.62; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.55; (4) ACD/LogD (pH 7.4): 3.62; (5) ACD/BCF (pH 5.5): 279.43; (6) ACD/BCF (pH 7.4): 332.08; (7) ACD/KOC (pH 5.5): 1866.57; (8) ACD/KOC (pH 7.4): 2218.25; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 12.89 Å2; (13) Index of Refraction: 1.56; (14) Molar Refractivity: 58.48 cm3; (15) Molar Volume: 180.7 cm3; (16) Surface Tension: 38.8 dyne/cm; (17) Density: 1.013 g/cm3; (18) Flash Point: 133.8 °C; (19) Enthalpy of Vaporization: 53.21 kJ/mol; (20) Boiling Point: 313.1 °C at 760 mmHg; (21) Vapour Pressure: 0.000932 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1cccc(c1c2ccccc2)CC
(2) InChI: InChI=1/C13H13N/c1-2-11-9-6-10-14-13(11)12-7-4-3-5-8-12/h3-10H,2H2,1H3
(3) InChIKey: LAQPYTPYLZTORG-UHFFFAOYAR