Structural formula
| Business number | 0179 |
|---|---|
| Molecular formula | (H2NCH2CH2S)2·2HCl |
| Molecular weight | 225.2 |
| label |
Cystamine dihydrochloride, 2,2′-Diaminodiethyl disulfide dihydrochloride, 2,2′-Dithiobis(ethylamine) dihydrochloride, Decarboxycystine dihydrochloride |
Numbering system
CAS number:56-17-7
MDL number:MFCD00012905
EINECS number:200-260-7
RTECS number:KR7260000
BRN number:3616850
PubChem number:24893096
Physical property data
1. Characteristics: White needle-like or flake crystals.
2. Density ( g/mL,25/4℃) ： Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point ( oC): 203~214
5. Boiling point ( oC,Normal pressure): Undetermined
6. Boiling point ( oC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flashpoint (oC): Undetermined
9. Specific optical rotation (o): Undetermined
10. Autoignition point or ignition temperature (oC): Not OK
11. Vapor pressure (kPa,25oC): Undetermined
12. Saturation 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/Water) partition coefficient pair Value: Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Not OK
19. Solubility: easy to deliquesce. Easily soluble in water, slightly soluble in hot ethanol and ether.
Toxicological data
1, acute toxicity: rat oral LD50: 896mg/kg; rat subcutaneously LDLo: 200mg/kg; mouse via Oral LD50: 874mg/kg; mouse abdominal cavity LD50: 405mg/kg;
Cat subcutaneous LDLo: 200mg/kg; guinea pig subcutaneous LDLo：300mg/kg
2, reproductive toxicity: female rats Oral TDLo: 1250mg/kg, 13-17 days later to conceive SPAN>
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 43.64
2. Molar volume (m 3/mol):129.8
3. isotonic specific volume (90.2K):350.6
4. Surface Tension (dyne/cm):53.1
5. Polarizability（10-24cm3):17.30
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP):-1
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 5
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA):52
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity ：37
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be sealed and stored in a dry and dark place.
Synthesis method
None
Purpose
For biochemical research, heparin antagonist, fructose bisphosphatase activation. Pharmaceuticals.
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