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

None yet

Synthesis method

None yet

Purpose

None yet