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CAS No.: | 150535-13-0 |
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Name: | 2-IODOMETHYLINDOLINE |
Molecular Structure: | |
Formula: | C9H10IN |
Molecular Weight: | 259.09 |
Synonyms: | 2-Iodomethylindoline; |
Density: | 1.677 g/cm3 |
Boiling Point: | 333.7 °C at 760 mmHg |
Flash Point: | 155.6 °C |
PSA: | 12.03000 |
LogP: | 2.59620 |
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The 1H-Indole,1-methyl-2-phenyl-3-propyl-, with the CAS registry number 796964-13-1, is also known as 2-Iodomethylindoline. This chemical's molecular formula is C9H10IN and molecular weight is 259.0869. Its systematic name is called 2-(iodomethyl)-2,3-dihydro-1H-indole.
Physical properties of 1H-Indole,1-methyl-2-phenyl-3-propyl-: (1)ACD/LogP: 2.60; (2)ACD/LogD (pH 5.5): 2.59; (3)ACD/LogD (pH 7.4): 2.6; (4)ACD/BCF (pH 5.5): 53.79; (5)ACD/BCF (pH 7.4): 55.84; (6)ACD/KOC (pH 5.5): 596.79; (7)ACD/KOC (pH 7.4): 619.43; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.628; (12)Molar Refractivity: 54.82 cm3; (13)Molar Volume: 154.4 cm3; (14)Surface Tension: 47 dyne/cm; (15)Density: 1.677 g/cm3; (16)Flash Point: 155.6 °C; (17)Enthalpy of Vaporization: 57.65 kJ/mol; (18)Boiling Point: 333.7 °C at 760 mmHg; (19)Vapour Pressure: 0.000135 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ICC2Nc1ccccc1C2
(2)InChI: InChI=1/C9H10IN/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8,11H,5-6H2
(3)InChIKey: FTDKWBOHZIGPCX-UHFFFAOYAD