Structural formula
| Business number | 01HF |
|---|---|
| Molecular formula | C5H5N5O |
| Molecular weight | 151.13 |
| label |
2-aminohypoxanthine, 2-amino-6-hydroxypurine, guanine, Guanotin, guanoline, guano ring, iminopurine dioxide, 2-Amino-6-hydroxypurine, 2-Amino-1,9-dihydro-6H-purin-6-one, 6-N-Hydroxyaminopurine, 2-Amino-6-oxypurine, pigment |
Numbering system
CAS number:73-40-5
MDL number:MFCD00071533
EINECS number:200-799-8
RTECS number:MF8260000
BRN number:9680
PubChem number:24895274
Physical property data
1. Appearance: White square crystal or amorphous powder
2. Density (g/mL, 25/4?): Uncertain
3. Relative vapor density ( g/mL, air=1): Uncertain
4. Melting point (ºC): >300 (lit.)
5. Boiling point (ºC, normal pressure): Uncertain
6. Boiling point (ºC, 5.2 kPa): Uncertain
7. Refractive index: Uncertain
8. Flash point (ºC): Uncertain
9. Specific rotation (º): Uncertain
10. Autoignition point or ignition temperature (ºC): Uncertain
11. Vapor pressure (kPa, 25 ºC): Uncertain
12. Saturated vapor pressure (kPa, 60 ºC): Uncertain
13. Heat of combustion (KJ/mol): Uncertain
14. Critical temperature (ºC): Uncertain
15. Critical pressure (KPa): Uncertain
16. Oil-water (octanol/water) distribution Log value of coefficient: Uncertain
17. Explosion upper limit (%, V/V): Uncertain
18. Explosion lower limit (%, V/V): Uncertain
19. Solubility: Soluble in ammonia, potassium hydroxide aqueous solution, dilute acids, slightly soluble in alcohol and ether, almost insoluble in water.
Toxicological data
Acute toxicity: mouse oral LC: >3333 mg/kg; mouse intraperitoneal LC: >1 mg/kg; tumorigenicity: rat subcutaneous injection of TDLo: 1300 mg/kg/26W-I;
mutagenicity: human Lymphocyte sex chromosome non-disjunction loss and testing system: 10 mg/L; mouse peritoneal cytogenetic analysis: 15 mg/kg;
Ecological data
None
Molecular structure data
1. Molar refractive index: 35.46
2. Molar volume (cm3/mol): 68.8
3. Isotonic specific volume (90.2K ): 229.6
4. Surface tension (dyne/cm): 124.0
5. Polarizability (10-24cm3): 14.06
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: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 26
6. Topological molecule polar surface area 96.2
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 225
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
Synthesis method
None
Purpose
1. It is a natural white pigment and is non-toxic. It can be used in general cosmetics, mainly used as pearlescent agent in lipstick, nail polish and eye cosmetics.
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