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CAS No.: | 15200-13-2 |
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Name: | 6-ethoxy-2,3,4,5-tetrahydropyridine |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C7H13NO |
Molecular Weight: | 127.186 |
Synonyms: | 2-Ethoxy-3,4,5,6-tetrahydropyridine;6-Ethoxy-2,3,4,5-tetrahydropyridine;O-Ethylvalerolactim; |
Density: | 1.003 g/cm3 |
Boiling Point: | 170.539 °C at 760 mmHg |
Flash Point: | 47.569 °C |
Appearance: | Light yellow liquid |
PSA: | 21.59000 |
LogP: | 1.04090 |
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The Pyridine, 2-ethoxy-3, 4, 5, 6-tetrahydro-, with the CAS registry number 15200-13-2, is also known as 2-Ethoxy-3, 4, 5, 6-tetrahydropyridine. This chemical's molecular formula is C7H13NO and molecular weight is 127.18. What's more, its IUPAC name is 6-Ethoxy-2, 3, 4, 5-tetrahydropyridine.
Physical properties about Pyridine, 2-ethoxy-3, 4, 5, 6-tetrahydro- are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 3; (7)#H bond acceptors: 2; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 21.59 Å2; (11)Index of Refraction: 1.488; (12)Molar Refractivity: 36.511 cm3; (13)Molar Volume: 126.768 cm3; (14)Polarizability: 14.474×10-24 cm3; (15)Surface Tension: 31.878 dyne/cm; (16)Density: 1.003 g/cm3; (17)Flash Point: 47.569 °C; (18)Enthalpy of Vaporization: 39.022 kJ/mol; (19)Boiling Point: 170.539 °C at 760 mmHg; (20)Vapour Pressure: 1.941 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC=1CCCCN=1
(2) InChI: InChI=1/C7H13NO/c1-2-9-7-5-3-4-6-8-7/h2-6H2,1H3
(3) InChIKey: WOZDKJXZGHBIPP-UHFFFAOYAM