5-Diethylamino-2-pentanone CAS105-14-6

Details:

Density 0.9± 0.1g /cm3
Boiling point 194.9±0.0 °C at 760 mmHg
Molecular formula C9H19NO
Molecular weight 157.253
Flash point 65.6±0.0 °C
Accurate mass 157.146667
PSA 20.31000
LogP 0.99
Appearance character colorless acicular shape
Vapor pressure 0.4±0.3 mmHg at 25°C
Refractive index 1.437
Storage condition
Store in a cool, ventilated warehouse. Keep away from fire and heat. It should be stored separately from oxidants, reducing agents and acids, and should not be mixed. Equipped with the corresponding variety and quantity of fire equipment. The storage area should be equipped with leak emergency treatment equipment and suitable holding materials.

Molecular structure
1. Molar refractive index: 47.49

2, molar volume (cm3/mol) : 181.4

3. Isotropic volume (90.2K) : 420.9

4. Surface tension (dyne/cm) : 28.9

5. Dielectric constant: unavailable

6. Polarization (10-24cm3) : 18.82

7. Single isotope mass: 157.146664 Da

8. Nominal quality: 157 Da

9. Average quality: 157.2533 Da

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :1

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :2

4. Number of rotatable bonds :6

5. Number of tautomers :3

6. Topological molecular polar surface area 20.3

7. Number of heavy atoms :11

8. Surface charge :0

9. Complexity :108

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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