hexahydro-1,3,5-triphenyl-1,3,5-triazole
structural formula
| business number | 0243 |
|---|---|
| molecular formula | c21h21n3 |
| molecular weight | 315.41 |
| label |
hexahydrotriphenyltricyanide |
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
none yet
synthesis method
none yet
purpose
none yet
