-
Name
3-hydroxy-2-methyl-3,3-diphenylpropanenitrile
- EINECS
- CAS No. 6275-86-1
- Article Data6
- CAS DataBase
- Density 1.127 g/cm3
- Solubility
- Melting Point
- Formula C16H15NO
- Boiling Point 451.7 °C at 760 mmHg
- Molecular Weight 237.301
- Flash Point 227 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms NSC 36155;
- PSA
- LogP
3-Hydroxy-2-methyl-3,3-diphenyl-propanenitrile Specification
The 3-Hydroxy-2-methyl-3, 3-diphenyl-propanenitrile, with the CAS registry number 6275-86-1, is also known as NSC 36155. This chemical's molecular formula is C16H15NO and molecular weight is 237.2964. What's more, its IUPAC name is 3-Hydroxy-2-methyl-3, 3-diphenylpropanenitrile.
Physical properties about 3-Hydroxy-2-methyl-3, 3-diphenyl-propanenitrile are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 33.02 Å2; (7)Index of Refraction: 1.584; (8)Molar Refractivity: 70.44 cm3; (9)Molar Volume: 210.4 cm3; (10)Polarizability: 27.92×10-24 cm3; (11)Surface Tension: 47.2 dyne/cm; (12)Density: 1.127 g/cm3; (13)Flash Point: 227 °C; (14)Enthalpy of Vaporization: 74.9 kJ/mol; (15)Boiling Point: 451.7 °C at 760 mmHg; (16)Vapour Pressure: 6.03E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CC(C(O)(c1ccccc1)c2ccccc2)C
(2) InChI: InChI=1/C16H15NO/c1-13(12-17)16(18,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,18H,1H3
(3) InChIKey: NVXKKAKSNWELHS-UHFFFAOYAJ
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