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| CAS No.: | 4630-20-0 |
|---|---|
| Name: | 3-METHYLCARBAZOLE |
| Article Data: | 92 |
| Molecular Structure: | |
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| Formula: | C13H11N |
| Molecular Weight: | 181.237 |
| Synonyms: | Carbazole,3-methyl- (6CI,7CI,8CI);3-Methylcarbazole;6-Methylcarbazole;NSC 10154; |
| EINECS: | 225-048-1 |
| Density: | 1.19 g/cm3 |
| Melting Point: | 265℃ |
| Boiling Point: | 369.1 °C at 760 mmHg |
| Flash Point: | 165.4 °C |
| PSA: | 15.79000 |
| LogP: | 3.62950 |
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Specification
The 9H-Carbazole, 3-methyl-, with CAS registry number 4630-20-0, has the systematic name of 3-methyl-9H-carbazole. Besides this, it is also called Carbazole, 3-methyl-. This chemical is isolated from Murraya koenigii. And the chemical formula of this chemical is C13H11N. What's more, its EINECS is 225-048-1.
Physical properties of 9H-Carbazole, 3-methyl-: (1)ACD/LogP: 4.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.18; (4)ACD/LogD (pH 7.4): 4.18; (5)ACD/BCF (pH 5.5): 884.81; (6)ACD/BCF (pH 7.4): 884.83; (7)ACD/KOC (pH 5.5): 4476.65; (8)ACD/KOC (pH 7.4): 4476.74; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.736; (14)Molar Refractivity: 61.19 cm3; (15)Molar Volume: 152.2 cm3; (16)Polarizability: 24.26×10-24cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 165.4 °C; (20)Enthalpy of Vaporization: 59.16 kJ/mol; (21)Boiling Point: 369.1 °C at 760 mmHg; (22)Vapour Pressure: 2.59E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc3c1c2c(ccc(c2)C)n3
(2)InChI: InChI=1/C13H11N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3
(3)InChIKey: PHKYYUQQYARDIU-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C13H11N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3
(5)Std. InChIKey: PHKYYUQQYARDIU-UHFFFAOYSA-N