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| CAS No.: | 89943-82-8 |
|---|---|
| Name: | Cicletanine |
| Molecular Structure: | |
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| Formula: | C14H12ClNO2 |
| Molecular Weight: | 261.708 |
| Synonyms: | Furo[3,4-c]pyridin-7-ol,3-(4-chlorophenyl)-1,3-dihydro-6-methyl-, (?à)-;(?à)-Cicletanine;Cicletanide;Cycletanide;Win 90000; |
| Density: | 1.351g/cm3 |
| Boiling Point: | 446.3 °C at 760 mmHg |
| Flash Point: | 223.7 °C |
| PSA: | 42.35000 |
| LogP: | 3.36860 |
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- Total:11 Page 1 of 1 1
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Specification
The Cicletanine, with CAS registry number 89943-82-8, has the systematic name of 3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol. Its classification codes are Anti-arrhythmia agents, Antihypertensive, Antihypertensive agents, Cardiovascular Agents, Diuretics and Natriuretic Agents. And the chemical formula of this chemical is C14H12ClNO2.
Physical properties of Cicletanine: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 27.9; (6)ACD/BCF (pH 7.4): 38.82; (7)ACD/KOC (pH 5.5): 244.96; (8)ACD/KOC (pH 7.4): 340.86; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.35 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 69.55 cm3; (15)Molar Volume: 193.6 cm3; (16)Polarizability: 27.57×10-24cm3; (17)Surface Tension: 57.8 dyne/cm; (18)Density: 1.351 g/cm3; (19)Flash Point: 223.7 °C; (20)Enthalpy of Vaporization: 73.16 kJ/mol; (21)Boiling Point: 446.3 °C at 760 mmHg; (22)Vapour Pressure: 1.4E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C3OCc2c3cnc(c2O)C
(2)InChI: InChI=1/C14H12ClNO2/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9/h2-6,14,17H,7H2,1H3
(3)InChIKey: CVKNDPRBJVBDSS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C14H12ClNO2/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9/h2-6,14,17H,7H2,1H3
(5)Std. InChIKey: CVKNDPRBJVBDSS-UHFFFAOYSA-N