4H-Indol-4-one,3,3a,7,7a-tetrahydro-3a,5-dimethyl-2-phenyl- supplier

Name
3a,5-dimethyl-2-phenyl-3,3a,7,7a-tetrahydro-4H-indol-4-one
EINECS
CAS No. 2538-60-5
Density 1.13 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₇NO
Boiling Point 365.8 °C at 760 mmHg
Molecular Weight 239.317
Flash Point 150.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 15194;
PSA
LogP

4H-Indol-4-one,3,3a,7,7a-tetrahydro-3a,5-dimethyl-2-phenyl- Specification

The 4H-Indol-4-one,3,3a,7,7a-tetrahydro-3a,5-dimethyl-2-phenyl- is an organic compound with the formula C₁₆H₁₇NO. With the CAS registry number 2538-60-5, the IUPAC name of this chemical is 3a,5-dimethyl-2-phenyl-7,7a-dihydro-3H-indol-4-one.

Physical properties about 4H-Indol-4-one,3,3a,7,7a-tetrahydro-3a,5-dimethyl-2-phenyl- are: (1)ACD/LogP: 1.64; (2)#H bond acceptors: 2 ; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 29.43 Å²; (5)Index of Refraction: 1.607; (6)Molar Refractivity: 72.7 cm³; (7)Molar Volume: 210.2 cm³; (8)Polarizability: 28.82×10^-24cm³; (9)Surface Tension: 41.2 dyne/cm; (10)Density: 1.13 g/cm³; (11)Flash Point: 150.8 °C; (12)Enthalpy of Vaporization: 61.22 kJ/mol; (13)Boiling Point: 365.8 °C at 760 mmHg; (14)Vapour Pressure: 1.53E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2\C(=C/CC3/N=C(/c1ccccc1)CC23C)C
(2)InChI: InChI=1/C16H17NO/c1-11-8-9-14-16(2,15(11)18)10-13(17-14)12-6-4-3-5-7-12/h3-8,14H,9-10H2,1-2H3
(3)InChIKey: PFVDLRROPRIHAT-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C16H17NO/c1-11-8-9-14-16(2,15(11)18)10-13(17-14)12-6-4-3-5-7-12/h3-8,14H,9-10H2,1-2H3
(5)Std. InChIKey: PFVDLRROPRIHAT-UHFFFAOYSA-N

Product Name

3a,5-dimethyl-2-phenyl-3,3a,7,7a-tetrahydro-4H-indol-4-one

4H-Indol-4-one,3,3a,7,7a-tetrahydro-3a,5-dimethyl-2-phenyl- Specification

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