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
