4,5-Imidazoledicarboxamide 4,5-Imidazoledicarboxamide
Structural formula
| Business number | 01TS |
|---|---|
| Molecular formula | C5H6N4O2 |
| Molecular weight | 154.13 |
| label |
Imidazole-4,5-diamide, Imidazole-4,5-dicarboxamide, 1H-Imidazole-4,5-dicarboxamide, Glycarbylamide |
Numbering system
CAS number:83-39-6
MDL number:None
EINECS number:None
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
17. Explosion upper limit (%,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility: Uncertain
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 36.63
2. Molar volume (m3/mol）：98.3
3. isotonic specific volume (90.2K):309.8
4. Surface Tension (dyne/cm):98.4
5. Polarizability（10-24cm3):14.52
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: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 10
6. Topological molecule polar surface area 115
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 193
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
Storage method
None
Synthesis method
None
Purpose
None
; TEXT-ALIGN: left; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>3. Isotonic specific volume (90.2 K):309.8
4. Surface Tension (dyne/cm):98.4
5. Polarizability（10-24cm3):14.52
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: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 10
6. Topological molecule polar surface area 115
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 193
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
Storage method
None
Synthesis method
None
Purpose
None