phenylbiguanide phenylbiguanide
structural formula
| business number | 02lj |
|---|---|
| molecular formula | c8h11n5 |
| molecular weight | 177.21 |
| label |
1-phenylbiguanide, 1-phenylbiguanide, n-phenyliminodicarbonimidic-diamide, c6h5nhc(=nh)nhc(=nh)nh2 |
numbering system
cas number:102-02-3
mdl number:mfcd00179077
einecs number:202-998-5
rtecs number:du2450000
brn number:none
pubchem number:24850064
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): 135-142
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc, 2mmhg): not determined
7. refractive index: not determined
8. flash point (ºc): not determined
9. specific rotation degree (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (mmhg, 20ºc): undetermined
12. saturated vapor pressure (kpa, ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc) : undetermined
15. critical pressure (kpa): undetermined
16. log value of oil-water (octanol/water) partition coefficient: undetermined
17. explosion upper limit (%, v/v): undetermined
18. explosion lower limit (%, v/v): undetermined
19. solubility: undetermined
toxicological data
acute toxicity: mouse peritoneal cavity ld50: 500mg/kg;
ecological data
none yet
molecular structure data
1. molar refractive index: 48.71
2. molar volume (cm3/mol): 132.5
3. isotonic specific volume (90.2k ): 369.4
4. surface tension (dyne/cm): 60.2
5. dielectric constant:
6. dipole moment (10-24cm3):
7. polarizability: 19.31
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: 1
4. number of rotatable chemical bonds: 2
5. number of tautomers: 5
6. topological molecule polar surface area 103
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 211
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the chemical bond establishment.number of ��centers: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet