Products Categories
CAS No.: | 1195-98-8 |
---|---|
Name: | 2-METHYL-2-PHENYLPROPANENITRILE |
Article Data: | 99 |
Molecular Structure: | |
Formula: | C10H11N |
Molecular Weight: | 145.204 |
Synonyms: | 2-Methyl-2-phenylpropanenitrile;Hydratroponitrile,α-methyl- (6CI,7CI,8CI);Dimethylphenylacetonitrile;α,α-Dimethylbenzeneacetonitrile;α,α-Dimethylbenzyl cyanide;α-Phenyl-a-methylpropionitrile;α-Phenylisobutyronitrile;2-Methyl-2-phenylpropionitrile;2-Phenylisobutyronitrile; |
Density: | 0.971 g/cm3 |
Boiling Point: | 234.7 °C at 760 mmHg |
Flash Point: | 101.4 °C |
Risk Codes: | Harmful:; "> Harmful:; |
PSA: | 23.79000 |
LogP: | 2.48778 |
What can I do for you?
Get Best Price
The Benzeneacetonitrile, α, α-dimethyl-, with the CAS registry number of 1195-98-8, is also known as α, α-Dimethylbenzeneacetonitrile. It belongs to the product categories of Boron, Nitrile, Thio & TM-Cpds; Phenyls & Phenyl-Het. This chemical's molecular formula is C10H11N and molecular weight is 145.2. What's more, its systematic name is called 2-Methyl-2-phenylpropanenitrile.
Physical properties about Benzeneacetonitrile, α, α-dimethyl- are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.17; (6)ACD/BCF (pH 7.4): 25.17; (7)ACD/KOC (pH 5.5): 350.24; (8)ACD/KOC (pH 7.4): 350.24; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 44.55 cm3; (15)Molar Volume: 149.5 cm3; (16)Surface Tension: 34.9 dyne/cm; (17)Density: 0.971 g/cm3; (18)Flash Point: 101.4 °C; (19)Enthalpy of Vaporization: 47.15 kJ/mol; (20)Boiling Point: 234.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0521 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CC(c1ccccc1)(C)C
(2) InChI: InChI=1/C10H11N/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,1-2H3
(3) InChIKey: PGQTYXFMSZUGOW-UHFFFAOYAS