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
