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Basic Information
CAS No.: 26216-91-1
Name: 2-phenylindoline
Molecular Structure:
Molecular Structure of 26216-91-1 (2-phenylindoline)
Formula: C14H13N
Molecular Weight: 195.264
Synonyms: Indoline,2-phenyl- (6CI,8CI);2,3-Dihydro-2-phenyl-1H-indole;2,3-Dihydro-2-phenylindole;2-Phenylindoline;
EINECS: 247-521-1
Density: 1.092 g/cm3
Melting Point: 46 °C
Boiling Point: 330 °C at 760 mmHg
Flash Point: 163.1 °C
PSA: 12.03000
LogP: 3.53390
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Specification

The 1H-Indole,2,3-dihydro-2-phenyl-, with the CAS registry number 26216-91-1, is also known as 1-Methyl-2-phenylindole. Its EINECS registry number is 247-521-1. This chemical's molecular formula is C14H13N and molecular weight is 195.25972. Its IUPAC name is called 2-phenyl-2,3-dihydro-1H-indole.

Physical properties of 1H-Indole,2,3-dihydro-2-phenyl-: (1)ACD/LogP: 2.85; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.85; (4)ACD/BCF (pH 5.5): 79.98; (5)ACD/BCF (pH 7.4): 86.41; (6)ACD/KOC (pH 5.5): 783.58; (7)ACD/KOC (pH 7.4): 846.59; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.605; (12)Molar Refractivity: 61.6 cm3; (13)Molar Volume: 178.7 cm3; (14)Surface Tension: 43.7 dyne/cm; (15)Density: 1.092 g/cm3; (16)Flash Point: 163.1 °C; (17)Enthalpy of Vaporization: 57.26 kJ/mol; (18)Boiling Point: 330 °C at 760 mmHg; (19)Vapour Pressure: 0.000171 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(NC2=CC=CC=C21)C3=CC=CC=C3
(2)InChI: InChI=1S/C14H13N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-9,14-15H,10H2
(3)InChIKey: XZPFOJPRFUSEIH-UHFFFAOYSA-N