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| CAS No.: | 99614-64-9 |
|---|---|
| Name: | 1,2,3,9-TETRAHYDRO-9-METHTYL-3-METHYLENE-4H-CARBAZOL-4-ONE |
| Molecular Structure: | |
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| Formula: | C14H13NO |
| Molecular Weight: | 211.263 |
| Synonyms: | 1,2,3,4-Tetrahydro-9-methyl-3-methylene-9H-carbazol-4-one; |
| Density: | 1.18 g/cm3 |
| Boiling Point: | 393.56 °C at 760 mmHg |
| Flash Point: | 191.82 °C |
| Appearance: | white or almost white power |
| Hazard Symbols: | T |
| Risk Codes: | 25-43 |
| Safety: | 36/37-45 |
| PSA: | 22.00000 |
| LogP: | 2.86340 |
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Specification
The 4H-Carbazol-4-one,1,2,3,9-tetrahydro-9-methyl-3-methylene-, with the CAS registry number 99614-64-9, is also known as 1,2,3,9-Tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one(ondansetron intermediate). It belongs to the product category of (Intermediate of Ondansetron). This chemical's molecular formula is C14H13NO and molecular weight is 211.2591. Its systematic name is called 9-methyl-3-methylidene-1,2,3,9-tetrahydro-4H-carbazol-4-one.
Physical properties of 4H-Carbazol-4-one,1,2,3,9-tetrahydro-9-methyl-3-methylene-: (1)ACD/LogP: 1.50; (2)#H bond acceptors: 2; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 0; (5)Index of Refraction: 1.633; (6)Molar Refractivity: 63.854 cm3; (7)Molar Volume: 178.762 cm3; (8)Surface Tension: 42.064 dyne/cm; (9)Density: 1.182 g/cm3; (10)Flash Point: 191.817 °C; (11)Enthalpy of Vaporization: 64.346 kJ/mol; (12)Boiling Point: 393.558 °C at 760 mmHg; (13)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C3\C(=C)CCc2c3c1c(cccc1)n2C
(2)InChI: InChI=1/C14H13NO/c1-9-7-8-12-13(14(9)16)10-5-3-4-6-11(10)15(12)2/h3-6H,1,7-8H2,2H3
(3)InChIKey: AGQJDIDJKSFVTC-UHFFFAOYAG