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
