IUPAC Name: 2-Methyl-1-octylindole
Synonyms of 1H-Indole,2-methyl-1-octyl- (CAS NO.42951-39-3): 2-Methyl-1-octyl-1H-indole ;1-Octyl-2-methylindole ; 2-Methyl-N-octylindole
CAS NO: 42951-39-3
Molecular Formula: C₁₇H₂₅N
Molecular Weight: 243.39
Molecular Structure:
EINECS: 256-016-5
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 4.93 Å²
Index of Refraction: 1.526
Molar Refractivity: 79.38 cm³
Molar Volume: 258.3 cm³
Surface Tension: 33.2 dyne/cm
Density: 0.94 g/cm³
Flash Point: 175.9 °C
Enthalpy of Vaporization: 58.97 kJ/mol
Boiling Point: 367.3 °C at 760 mmHg
Vapour Pressure: 2.92E-05 mmHg at 25°C
SMILES: c1cccc2c1cc(n2CCCCCCCC)C
InChI: InChI=1/C17H25N/c1-3-4-5-6-7-10-13-18-15(2)14-16-11-8-9-12-17(16)18/h8-9,11-12,14H,3-7,10,13H2,1-2H3
InChIKey: MOVCYDNEZZZSLV-UHFFFAOYAR
Std. InChI: InChI=1S/C17H25N/c1-3-4-5-6-7-10-13-18-15(2)14-16-11-8-9-12-17(16)18/h8-9,11-12,14H,3-7,10,13H2,1-2H3
Std. InChIKey: MOVCYDNEZZZSLV-UHFFFAOYSA-N