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| CAS No.: | 1238-43-3 |
|---|---|
| Name: | Hydroxyevodiamine |
| Molecular Structure: | |
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| Formula: | C19H17N3O2 |
| Molecular Weight: | 319.363 |
| Synonyms: | (13bR)-8,13,13b,14-Tetrahydro-13bα-hydroxy-14-methylindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one; |
| EINECS: | 300-005-7 |
| Density: | 1.48 g/cm3 |
| Melting Point: | 195℃ (dec.) (ethanol ) |
| Boiling Point: | 618.4 °C at 760 mmHg |
| Flash Point: | 327.8 °C |
| PSA: | 59.57000 |
| LogP: | 3.02330 |
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Specification
This chemical is called Hydroxyevodiamine, and its systematic name is 13b-hydroxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one. With the molecular formula of C19H17N3O2, its molecular weight is 319.36. The CAS registry number of this chemical is 1238-43-3.
Other characteristics of the Hydroxyevodiamine can be summarised as followings: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 2.75; (6)ACD/BCF (pH 7.4): 2.75; (7)ACD/KOC (pH 5.5): 71.86; (8)ACD/KOC (pH 7.4): 71.85; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.71 Å2; (13)Index of Refraction: 1.796; (14)Molar Refractivity: 91.42 cm3; (15)Molar Volume: 214.5 cm3; (16)Polarizability: 36.24×10-24cm3; (17)Surface Tension: 85.5 dyne/cm; (18)Density: 1.48 g/cm3; (19)Flash Point: 327.8 °C; (20)Enthalpy of Vaporization: 96.39 kJ/mol; (21)Boiling Point: 618.4 °C at 760 mmHg; (22)Vapour Pressure: 3.74E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C4N3CCc2c(nc1ccccc12)C3(O)N(c5ccccc45)C
2.InChI: InChI=1/C19H17N3O2/c1-21-16-9-5-3-7-14(16)18(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)19(21,22)24/h2-9,20,24H,10-11H2,1H3
3.InChIKey: WCLDCQVGZXKRKT-UHFFFAOYAS