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
