1-Phenylbiguanide Hydrochloride 1-Phenylbiguanide Hydrochloride
Structural formula
| Business number | 016Y |
|---|---|
| Molecular formula | C8H12ClN5 |
| Molecular weight | 213.67 |
| label |
None yet |
Numbering system
CAS number:55-57-2
MDL number:MFCD00035040
EINECS number:200-239-2
RTECS number:DU2550000
BRN number:None
PubChem number:24898259
Physical property data
None
Toxicological data
1, acute toxicity: mouse oral LD50: 1200mg/kg; mouse abdominal cavity LD50: 243mg/kg
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 48.71
2. Molar volume (m3/mol):132.5
3. isotonic specific volume (90.2K):369.4
4. Surface Tension (dyne/cm):60.2
5. Polarizability（10-24cm3):19.31
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: 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: 14
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 number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 2
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
