2-aminobarbituric acid

Structural formula

Business number	03A5
Molecular formula	C4H5N3O3
Molecular weight	143.10
label	2-Aminomalonyl urea, Heterocyclic compounds

• 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:118-78-5

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: White powdery crystal.

2. Density (g/mL,25℃): Undetermined

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

4. Melting point (ºC): 248 (decomposition)

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

6. Boiling point (ºC,kPa): Undetermined

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific rotation (º): Undetermined

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

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

12. Saturated vapor pressure (kPa, ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined

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

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

19. Solubility:Soluble in hot water.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1, Moore Refractive index: 29.08

2, Moore Volume (m³/mol):95.5

3、 Isotonic specific volume (90.2K) ：260.2

4, Surface Tension (dyne/cm):54.9

5、 Polarizability (10^-24cm³):11.53

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 15

6. Topological molecule polar surface area 101

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 192

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

Obtained by reduction of 2-nitrobarbituric acid.

Purpose

For organic synthesis.

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3、 Isotonic specific volume (90.2K) ：260.2

4, Surface Tension (dyne/cm):54.9

5、 Polarizability (10^-24cm³):11.53

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 15

6. Topological molecule polar surface area 101

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 192

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

Obtained by reduction of 2-nitrobarbituric acid.

Purpose

For organic synthesis.

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Properties and stability

None yet

Storage method

None yet

Synthesis method

Obtained by reduction of 2-nitrobarbituric acid.

Purpose

For organic synthesis.