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| CAS No.: | 4375-15-9 |
|---|---|
| Name: | 3-Methyl-2,3-dihydro-1H-indole |
| Molecular Structure: | |
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| Formula: | C9H11N |
| Molecular Weight: | 133.193 |
| Synonyms: | 3-Methyl Indoline; |
| Density: | 0.989 g/cm3 |
| Melting Point: | 124.5 °C |
| Boiling Point: | 206.8 °C at 760 mmHg |
| Flash Point: | 78.2 °C |
| PSA: | 12.03000 |
| LogP: | 2.35360 |
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Specification
The 3-Methyl-2, 3-dihydro-1H-indole, with the CAS registry number , is also known as 3-Methyl Indoline. This chemical's molecular formula is C9H11N and molecular weight is 133.1903. What's more, its IUPAC name is 3-Methyl-2, 3-dihydro-1H-indole.
Physical properties about 3-Methyl-2, 3-dihydro-1H-indole are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 15.47; (6)ACD/BCF (pH 7.4): 23.78; (7)ACD/KOC (pH 5.5): 218.38; (8)ACD/KOC (pH 7.4): 335.63; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 41.87 cm3; (15)Molar Volume: 134.5 cm3; (16)Polarizability: 16.59×10-24 cm3; (17)Surface Tension: 34.2 dyne/cm; (18)Density: 0.989 g/cm3; (19)Flash Point: 78.2 °C; (20)Enthalpy of Vaporization: 44.3 kJ/mol; (21)Boiling Point: 206.8 °C at 760 mmHg; (22)Vapour Pressure: 0.233 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cccc2c1C(CN2)C
(2) InChI: InChI=1/C9H11N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7,10H,6H2,1H3
(3) InChIKey: BFQARNDIMKOOQQ-UHFFFAOYAU