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Cas Database |
| Name |
2-Methyl-4,5,6,7-tetrahydro-1H-indol-4-one |
EINECS | N/A |
| CAS No. | 35308-68-0 | Density | 1.171 g/cm3 |
| PSA | 32.86000 | LogP | 1.84210 |
| Solubility | N/A | Melting Point |
161.582 °C |
| Formula | C9H11NO | Boiling Point | 330.314 °C at 760 mmHg |
| Molecular Weight | 149.192 | Flash Point | 161.582°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Indol-4(5H)-one,6,7-dihydro-2-methyl- (7CI);2-Methyl-4,5,6,7-tetrahydroindol-4-one;2-Methyl-4-oxo-4,5,6,7-tetrahydroindole; |
Article Data | 23 |
2-Methyl-4,5,6,7-tetrahydro-1H-indol-4-one Specification
The cas register number of 2-Methyl-4,5,6,7-tetrahydro-1H-indol-4-one is 35308-68-0. It also can be called as 4H-Indol-4-one, 1,5,6,7-tetrahydro-2-methyl- and the Systematic name about this chemical is 2-methyl-1,5,6,7-tetrahydro-4H-indol-4-one.
Physical properties about 2-Methyl-4,5,6,7-tetrahydro-1H-indol-4-one are: (1)ACD/LogP: 0.06 ; (2) # of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2 ; (4)ACD/LogD (pH 7.4): 2 ; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 178; (8)ACD/KOC (pH 7.4): 178; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.86Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 42.428 cm3; (15)Molar Volume: 127.358 cm3; (16)Surface Tension: 49.257 dyne/cm; (17)Density: 1.171 g/cm3; (18)Flash Point: 161.582 °C; (19)Enthalpy of Vaporization: 57.288 kJ/mol; (20)Boiling Point: 330.314 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: O=C2c1c(nc(c1)C)CCC2
2.InChI: InChI=1/C9H11NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h5,10H,2-4H2,1H3
3.InChIKey: HJIYEKHYUGHTAC-UHFFFAOYAK
4.Std. InChI: InChI=1S/C9H11NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h5,10H,2-4H2,1H3.
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