4,4'-Diaminobenzanilide CAS785-30-8

Details:

Density 1.3 ± 0.1 g/cm3
Boiling point 384.0 ± 27.0 ° C at 760 mmHg
Melting point 205-207 ° C (lit.)
Molecular formula C13H13N3O
Molecular weight 227.262
Flash point 186.0 ± 23.7 ° C
Accurate quality 227.105865
PSA 81.14000
LogP 0.18
Appearance: Brown solid
Steam pressure 0.0 ± 0.9 mmHg at 25 ° C
Refractive index 1.734
Storage conditions
Keep the container sealed and store in a cool, dry place
Stability
Stable at room temperature and pressure, avoiding contact with strong oxidants
Water solubility: Actually insoluble; Slightly soluble: methanol
Molecular structure
1. Molar refractive index: 69.30
2. Molar volume (cm3/mol): 172.8
3. Isometric volume (90.2K): 498.5
4. Surface tension (dyne/cm): 69.1
5. Dielectric constant:
6. Dipole distance (10-24cm3):
7. Polarization rate: 27.47
Computational chemistry
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond receptors: 3
4. Number of rotatable Chemical bond: 2
5. Number of Tautomer: 5
6. Topological molecule Polar surface area 81.1
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 253
10. Number of Isotope Atoms: 0
11. Determine the number of atomic structure centers: 0
12. Number of uncertain atomic structure centers: 0
13. Determine the number of Chemical bond stereo centers: 0
14. Number of uncertain Chemical bond stereostructural centers: 0
15. Number of Covalent bond units: 1

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