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Name |
Pentanenitrile,5-hydroxy-4,4-dimethyl- |
EINECS | 246-760-9 |
CAS No. | 25252-68-0 | Density | 0.941 g/cm3 |
PSA | 44.02000 | LogP | 1.30868 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H13NO | Boiling Point | 240.1 °C at 760 mmHg |
Molecular Weight | 127.186 | Flash Point | 99 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Valeronitrile,5-hydroxy-4,4-dimethyl- (6CI,7CI,8CI);5-Hydroxy-4,4-dimethylpentanenitrile;5-Hydroxy-4,4-dimethylvaleronitrile; |
Article Data | 6 |
The Pentanenitrile,5-hydroxy-4,4-dimethyl-, with the CAS registry number 25252-68-0, is also known as 5-Hydroxy-4,4-dimethylvaleronitrile. This chemical's molecular formula is C7H13NO and molecular weight is 127.18. What's more, its systematic name is 5-Hydroxy-4,4-dimethylpentanenitrile and its EINECS number is 246-760-9.
Physical properties of Pentanenitrile,5-hydroxy-4,4-dimethyl- are: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.41; (8)ACD/KOC (pH 7.4): 28.41; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 35.89 cm3; (15)Molar Volume: 135 cm3; (16)Polarizability: 14.22×10-24 cm3; (17)Surface Tension: 36 dyne/cm; (18)Density: 0.941 g/cm3; (19)Flash Point: 99 °C; (20)Enthalpy of Vaporization: 55.44 kJ/mol; (21)Boiling Point: 240.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00675 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCC(C)(C)CO
(2)InChI: InChI=1/C7H13NO/c1-7(2,6-9)4-3-5-8/h9H,3-4,6H2,1-2H3
(3)InChIKey: LPRMANDJSIXLBP-UHFFFAOYSA-N