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
