Hexahydro-1,3,5-triphenyl-1,3,5-triazole structural formula

Hexahydro-1,3,5-triphenyl-1,3,5-triazole structural formula

Structural formula

Business number 0243
Molecular formula C21H21N3
Molecular weight 315.41


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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BDMAEE:Bis (2-Dimethylaminoethyl) Ether

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