hexahydro-1,3,5-triphenyl-1,3,5-triazole

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:91-78-1

mdl number:mfcd00043590

einecs number:202-097-7

rtecs number:none

brn number:91510

pubchem id:none

physical property data

none yet

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 97.86

2. molar volume (cm³/mol): 272.1

3. isotonic specific volume (90.2k ): 720.9

4. surface tension (dyne/cm): 49.2

5. polarizability (10-24cm3): 38.79

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 5.7

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 9.7

7. number of heavy atoms: 24

8. surface charge: 0

9. complexity: 298

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

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synthesis method

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purpose

none yet