Structural formula
Business number | 02XE |
---|---|
Molecular formula | C4H5N3O |
Molecular weight | 111.10 |
label |
2-amino-4-hydroxypyrimidine, 4-hydroxy-2-aminopyrimidine, Isosporine, isocytine, 2-Amino-6-hydroxypyrimidine, Isocytosine (2-amino-4-hydroxypyrimidine), 4-Hydroxy-2-Aminopyrimidine, 2-Amino-4-Hydroxypyrimidine, isocytosine, 2-Amino-6-Hydroxpyrimidine, 4(1h)-Pyrimidinone, 2-Amino- (9ci), 2-Amino-4-Hydroxypyrimidine / Isocytosine, 2-Aminouracil, 2-Amino-4-Hydroxypyrimidine 97% |
Numbering system
CAS number:108-53-2
MDL number:MFCD00057557
EINECS number:203-592-0
RTECS number:None
BRN number:None
PubChem number:24895959
Physical property data
1. Characteristics: Undetermined
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1 ): Undetermined
4. Melting point (ºC): 275
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC) , kPa): Not determined
7. Refractive index (D20): Not determined
8. Flash point ( ºC): Not determined
9. Specific rotation (ºC): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, ºC): Undetermined
12. Saturation 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 distribution coefficient (water): Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 27.30
2. Molar volume (cm3/mol): 71.5
3. Isotonic specific volume (90.2K ):206.3
4. Surface tension (dyne/cm): 69.2
5. Polarizability (10-24cm3): 10.82
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 9
6. Topological molecule polar surface area 67.5
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 170
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