Basic information
- Name:
2-Ethyl-3-pyridinol
- CAS No.:
61893-02-5
- Molecular Structure:
- Formula:
- C7H9NO
- Molecular Weight:
- 123.15
- Synonyms:
- 3-Pyridinol, 2-ethyl-;2-Ethylpyridin-3-ol;
- Density:
- 1.081 g/cm3
- Melting Point:
- 135 °C
- Boiling Point:
- 284.471 °C at 760 mmHg
- Flash Point:
- 125.844 °C
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Specification
2-Ethyl-3-pyridinol is an organic compound with the formula C7H9NO, and its systematic name is the same with the product name. With the CAS registry number 61893-02-5, it is also named as 2-Ethylpyridin-3-ol. In addition, the molecular weight is 123.15.
Physical properties of 2-Ethyl-3-pyridinol are: (1)ACD/LogP: 1.631; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 6.89; (6)ACD/BCF (pH 7.4): 9.00; (7)ACD/KOC (pH 5.5): 123.77; (8)ACD/KOC (pH 7.4): 161.78; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 35.775 cm3; (15)Molar Volume: 113.904 cm3; (16)Polarizability: 14.182×10-24cm3; (17)Surface Tension: 43.80 dyne/cm; (18)Density: 1.081 g/cm3; (19)Flash Point: 125.844 °C; (20)Enthalpy of Vaporization: 54.447 kJ/mol; (21)Boiling Point: 284.471 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cccnc1CC
(2)Std. InChI: InChI=1S/C7H9NO/c1-2-6-7(9)4-3-5-8-6/h3-5,9H,2H2,1H3
(3)Std. InChIKey: BYVJVUZSNXUNRW-UHFFFAOYSA-N
