N,N'-DIETHYL-N,N'-DIPHENYLUREA CAS85-98-3

Details:

Density 1.118g /cm3
Boiling point 325-330 ºC
Melting point 73-75 °C(lit.)
Molecular formula C17H20N2O
Molecular weight 268.35300
Flash point 325-330 ºC
Accurate mass 268.15800
PSA 23.55000
LogP 4.15940
Appearance properties white to gray crystalline powder
Vapor density 9.3 (vs air)
Refractive index 1.591
Storage condition
Seal and store in a cool, dry place

stability
Stable at normal temperature and pressure

Avoidance of light

Molecular structure
1. Molar refractive index: 83.74

2. Molar volume (m3/mol) : 239.9

3. Isotropic specific volume (90.2K) : 631.2

4. Surface tension (dyne/cm) : 47.9

5, dielectric constant: no use

6, dipole distance (10-24cm 3) : No use

7. Polarization: 33.19

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :3.6

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :1

4. Number of rotatable bonds :4

5. Number of tautomers: None

6. Topological molecular polar surface area 23.6

7. Number of heavy atoms :20

8. Surface charge :0

9. Complexity :265

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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