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2-Butylpyridine chemistry EINECS 225-758-1
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Density 0.91g/cm3
The boiling point is 191.6ºC at 760mmHg
Molecular formula C9H13N
Molecular weight 135.20600
Flash point 68.8ºC
Accurate mass 135.10500
PSA 12.89000
LogP 2.42420
Refractive index 1.493
Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None
2. Number of hydrogen bond donors :0
3. Number of hydrogen bond receptors :1
4. Number of rotatable bonds :3
5. Number of tautomers :2
6. Topological molecular polar surface area :12.9
7. Number of heavy atoms :10
8. Surface charge :0
9. Complexity :80.8
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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