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
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Toxicological data
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Ecological data
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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
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Storage method
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Synthesis method
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Purpose
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