2-aminobarbituric acid
Structural formula
| Business number | 03A5 |
|---|---|
| Molecular formula | C4H5N3O3 |
| Molecular weight | 143.10 |
| label |
2-Aminomalonyl urea, Heterocyclic compounds |
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.