3,4-diaminopyridine 3,4-diaminopyridine

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:54-96-6

mdl number:mfcd00006401

einecs number:200-220-9

rtecs number:us7600000

brn number:110232

pubchem number:24894084

physical property data

1. character:colorless needle-like crystals. sensitive to air.

2. density (g/ml,25/4℃): undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc): 218~219

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc, 1.60kpa): undetermined.

7. refractive index: undetermined

8. flashpoint (ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility:easily soluble in water and ethanol, slightly soluble in ether.

toxicological data

1, acute toxicity: mouse abdominal cavity ld50: 20mg/kg; mouse subcutaneous ld50: 35mg/kg; mouse intravenousld50: 13mg/kg; wild birds ld50: 75mg/kg

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 32.81

2. molar volume (m³/mol）：87.2

3. isotonic specific volume (90.2k):253.0

4. surface tension (dyne/cm):70.9

5. polarizability（10^-24cm³):13.00

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.5

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

p>

4. number of rotatable chemical bonds: 0

5. number of tautomers: 6

6. topological molecule polar surface area 64.9

7. number of heavy atoms: 8

8. surface charge: 0

9. complexity: 74.1

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: 1

properties and stability

none

storage method

this product should be sealed and stored with argon gas.

synthesis method

none

purpose

organic synthesis.

nt-size: 9pt; font-family: arial”>32.81

2. molar volume (m³/mol）：87.2

3. isotonic specific volume (90.2k):253.0

4. surface tension (dyne/cm):70.9

5. polarizability（10^-24cm³):13.00

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.5

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

p>

4. number of rotatable chemical bonds: 0

5. number of tautomers: 6

6. topological molecule polar surface area 64.9

7. number of heavy atoms: 8

8. surface charge: 0

9. complexity: 74.1

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: 1

properties and stability

none

storage method

this product should be sealed and stored with argon gas.

synthesis method

none

purpose

organic synthesis.

style=”font-size: 9pt; font-family: arial”>

synthesis method

none

purpose

organic synthesis.