structural formula
| business number | 03ls |
|---|---|
| molecular formula | c22h18n2o2 |
| molecular weight | 342.39 |
| label |
1-methylamino-4-p-toluylaminoanthraquinone, 1-(methylamino)-4-[(4-methylphenyl)amino]-10-anthracenedione, aromatic compounds |
numbering system
cas number:128-85-8
mdl number:mfcd00071821
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 102.47
2. molar volume (m3/mol）：260.8
3. isotonic specific volume (90.2k ): 739.9
4. surface tension (dyne/cm):64.7
5. polarizability（10-24cm3):40.62
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 5.9
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 3
5. number of tautomers: 12
6. topological molecule polar surface area 58.2
7. number of heavy atoms: 26
8. surface charge: 0
9. complexity: 540
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
storage method
none
synthesis method
none
purpose
none
