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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