-
Name
Evodine
- EINECS
- CAS No. 6989-38-4
- Density 1.245 g/cm3
- Solubility
- Melting Point 153-154 °C
- Formula C18H19NO5
- Boiling Point 507 °C at 760 mmHg
- Molecular Weight 329.353
- Flash Point 260.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Evodine(7CI,8CI);Furo[2,3-b]quinoline, 3-buten-2-ol deriv.;
- PSA 73.95000
- LogP 3.31400
Evodine Specification
The Evodine with the CAS number 6989-38-4 is also called 3-Buten-2-ol,1-[(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy]-3-methyl-, (-)-. Both the systematic name and IUPAC name are 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbut-3-en-2-ol. Its molecular formula is C18H19NO5. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 62.95 Å2; (7)Index of Refraction: 1.612; (8)Molar Refractivity: 91.95 cm3; (9)Molar Volume: 264.4 cm3; (10)Polarizability: 36.45×10-24cm3; (11)Surface Tension: 46.7 dyne/cm; (12)Enthalpy of Vaporization: 81.81 kJ/mol; (13)Vapour Pressure: 4.23×10-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=C)C(COc1ccc2c(c1OC)nc3c(c2OC)cco3)O
(2)InChI: InChI=1/C18H19NO5/c1-10(2)13(20)9-24-14-6-5-11-15(17(14)22-4)19-18-12(7-8-23-18)16(11)21-3/h5-8,13,20H,1,9H2,2-4H3
(3)InChIKey: LNJTUUHDKCPQAA-UHFFFAOYAI
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