1,4-Diamino-2,3-dicyananthraquinone 1,4-Diamino-2,3-dicyananthraquinone
Structural formula
| Business number | 01S4 |
|---|---|
| Molecular formula | C16H8N4O2 |
| Molecular weight | 288.26 |
| label |
None yet |
Numbering system
CAS number:81-41-4
MDL number:MFCD00053082
EINECS number:201-347-2
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Physical property data
1. Character: Uncertain.
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC): Unsure
5. Boiling point (ºC,Normal pressure): Uncertain
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flash Point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
12. le=”FONT-SIZE: 9pt; FONT-FAMILY: Arial; mso-font-kerning: 0pt; mso-fareast-font-family: Arial”>17. Explosion upper limit (%,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility: Uncertain.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 75.26
2. Molar Volume (m3/mol）：183.1
3. isotonic specific volume (90.2K):586.0
4. Surface Tension (dyne/cm):104.8
5. Polarizability（10-24cm3):29.83
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 8
6. Topological molecule polar surface area 134
7. Number of heavy atoms: 22
8. Surface charge: 0
9. Complexity: 558
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
alt: auto; mso-margin-bottom-alt: auto; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt” align=left>3. Isotonic specific volume (90.2K): 586.0
4. Surface Tension (dyne/cm):104.8
5. Polarizability（10-24cm3):29.83
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 8
6. Topological molecule polar surface area 134
7. Number of heavy atoms: 22
8. Surface charge: 0
9. Complexity: 558
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
