Neocuproine CAS484-11-7

Details:

Density 1.2± 0.1g /cm3
Boiling point 367.4±37.0 °C at 760 mmHg
Melting point 159-164 °C
Molecular formula C14H12N2
Molecular weight 208.258
Flash point 159.7±17.8 °C
Accurate mass 208.100052
PSA 25.78000
LogP is 2.70
Appearance character light yellow - off-white crystal
Vapor pressure 0.0±0.8 mmHg at 25°C
Refractive index 1.693
Storage condition
Store sealed, ventilated and dry place, avoid contact with other oxides.

stability
Use and storage according to specifications, will not occur decomposition, avoid contact with oxides

Water is slightly soluble
Molecular structure
1. Molar refractive index: 67.77

2. Molar volume (m3/mol) : 176.6

3. Isographic volume (90.2K) : 478.5

4. Surface tension (dyne/cm) : 53.8

5. Polarization (10-24cm 3) : 26.86

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :3.3

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 25.8

7. Number of heavy atoms :16

8. Surface charge :0

9. Complexity :227

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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