2-CYANO-4-METHYLPYRIDINE CAS1620-76-4

Details:

Density 1.1± 0.1g /cm3
Boiling point 261.1±20.0 °C at 760 mmHg
Melting point 88-91°C
Molecular formula C7H6N2
Molecular weight 118.136
Flash point 99.9±7.0 °C
Accurate mass 118.053101
PSA 36.68000
LogP is 0.97
Vapor pressure 0.0±0.5 mmHg at 25°C
Refractive index 1.531
Storage condition
Keep the container sealed and store in a cool, dry place

stability
Stable under normal temperature and pressure, avoid contact with oxides

Molecular structure
1. Molar refractive index: 33.74

2, molar volume (m3/mol) : 108.9

3. Isobaric volume (90.2K) : 286.8

4. Surface tension (dyne/cm) : 47.9

5. Dielectric constant (F/m) : unavailable

6. Polarization (10-24cm 3) : 13.37

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :2

4. Number of rotatable bonds :0

5. Number of tautomers: None

6. Topological molecular polar surface area 36.7

7. Number of heavy atoms :9

8. Surface charge :0

9. Complexity :133

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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