Pentanenitrile,5-hydroxy-4,4-dimethyl- supplier

Name
5-hydroxy-4,4-dimethylvaleronitrile
EINECS 246-760-9
CAS No. 25252-68-0
Article Data6
CAS DataBase
Density 0.941 g/cm³
Solubility
Melting Point
Formula C₇H₁₃NO
Boiling Point 240.1 °C at 760 mmHg
Molecular Weight 127.186
Flash Point 99 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Valeronitrile,5-hydroxy-4,4-dimethyl- (6CI,7CI,8CI);5-Hydroxy-4,4-dimethylpentanenitrile;5-Hydroxy-4,4-dimethylvaleronitrile;
PSA 44.02000
LogP 1.30868

Pentanenitrile,5-hydroxy-4,4-dimethyl- Specification

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^-24cm³; (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

Product Name

5-hydroxy-4,4-dimethylvaleronitrile

Pentanenitrile,5-hydroxy-4,4-dimethyl- Specification

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