
structural formula
| business number | 03zy |
|---|---|
| molecular formula | c6h14n4o2 |
| molecular weight | 174.20 |
| label |
none |
numbering system
cas number:157-06-2
mdl number:mfcd00063116
einecs number:205-866-5
rtecs number:cf1934220
brn number:1725412
pubchem id:none
physical property data
1. characteristics: white crystal
2. density (g/ml,25/4℃): undetermined
3. relative vapor density (g/ml,air =1): undetermined
4. melting point (ºc):238( decompose)
5. boiling point (ºc,normal pressure): undetermined
6. boiling point (ºc,5.2kpa): not determined
7. refractive index: undetermined
8. flashpoint (ºc): undetermined
9. specific rotation (º): [а]d/25-27.6°(c=2.5mol/lin hydrochloric acid)-12.5°(c=2, in water ).
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (kpa,25ºc): undetermined
12. saturated vapor pressure (kpa,60ºc): 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 partition coefficient for water: undetermined
17. explosion upper limit (%,v/v): undetermined
18. lower explosion limit (%,v/v): undetermined
19. solubility:soluble in water
toxicological data
none yet
ecological data
none yet
molecular structure data
1. molar refractive index:40.69
2. molar volume(m3/mol):118.7
3. isotonic specific volume(90.2k):338.5
4. surface tension(dyne/cm): 66.1
5. dielectric constant: none available
6. dipole moment(10-24cm3) : not available
7. polarizability:16.13
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 4
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 5
5. number of tautomers: 2
6. topological molecule polar surface area 128
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 176
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 1
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 yet
storage method
store in a sealed, dry and away from light
synthesis method
none yet
purpose
biochemical research
-54.75pt; 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> 4. surface tension( dyne/cm): 66.1
5. dielectric constant: none available
6. dipole moment(10-24cm3) : not available
7. polarizability:16.13
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 4
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 5
5. number of tautomers: 2
6. topological molecule polar surface area 128
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 176
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 1
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 yet
storage method
store in a sealed, dry and away from light
synthesis method
none yet
purpose
biochemical research
un: yes”> seal store dry and away from light
synthesis method
none yet
purpose
biochemical research

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