BDMAEE

Structural formula

Business number	01KW
Molecular formula	C8H6N4O8
Molecular weight	286.16
label	double allamide, 5,5′-dihydroxy-5,5′-bis-1,3-hexacyclotetraone, Reduced oxalic acid diurea, Alloxan, 5,5′-Dihydroxy-5,5′-bipyrimidinehexaone, 5,5′-Dihydroxy-5,5′-dibarbituric acid5,5′-dihydroxy-5,5′-bibarbituric acid

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:76-24-4

MDL number:MFCD00042797

EINECS number:200-947-1

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: White crystalline powder.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 250

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor Pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Soluble in hot water, slightly soluble in cold water ethanol and ether. Aqueous solutions are acidic.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 52.10

2. Molar volume (cm³/mol): 140.5

3. Isotonic specific volume (90.2K ): 461.9

4. Surface tension (dyne/cm): 116.8

5. Polarizability (10^-24cm³): 20.65

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -4

2. Hydrogen bondingNumber of donors: 6

3. Number of hydrogen bond acceptors: 8

4. Number of rotatable chemical bonds: 1

5. Tautomers Number: 15

6. Topological molecular polar surface area (TPSA): 191

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 503

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. The number of determined chemical bond stereocenters: 0

14. The number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed.

Synthesis method

None

Purpose

Verification and determination of iron.