3H-Indole,2,3,3-trimethyl-5-phenyl- supplier

Name
3H-Indole,2,3,3-trimethyl-5-phenyl-
EINECS
CAS No. 294655-87-1
Density 1.03 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₇N
Boiling Point 367.4 °C at 760 mmHg
Molecular Weight 235.3236
Flash Point 168.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Phenyl-2,3,3-trimethyl-3H-indole;
PSA
LogP

3H-Indole,2,3,3-trimethyl-5-phenyl- Specification

The 3H-Indole, 2, 3, 3-trimethyl-5-phenyl- has CAS registry number 294655-87-1. This chemical's molecular formula is C₁₇H₁₇N and molecular weight is 235.3236. What's more, its systematic name is 2, 3, 3-Trimethyl-5-phenyl-3H-indole.

Physical properties about 3H-Indole, 2, 3, 3-trimethyl-5-phenyl- are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 44.89; (6)ACD/BCF (pH 7.4): 264.97; (7)ACD/KOC (pH 5.5): 313.8; (8)ACD/KOC (pH 7.4): 1852.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.36 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 76.27 cm³; (15)Molar Volume: 228.1 cm³; (16)Polarizability: 30.23×10^-24 cm³; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 1.03 g/cm³; (19)Flash Point: 168.3 °C; (20)Enthalpy of Vaporization: 58.98 kJ/mol; (21)Boiling Point: 367.4 °C at 760 mmHg; (22)Vapour Pressure: 2.89E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N=2c1ccc(cc1C(C=2C)(C)C)c3ccccc3
(2) InChI: InChI=1/C17H17N/c1-12-17(2,3)15-11-14(9-10-16(15)18-12)13-7-5-4-6-8-13/h4-11H,1-3H3
(3) InChIKey: RUEVOVIBTGMVJR-UHFFFAOYAV

Product Name

3H-Indole,2,3,3-trimethyl-5-phenyl-

3H-Indole,2,3,3-trimethyl-5-phenyl- Specification

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