3,4-diaminopyridine

3,4-diaminopyridine structural formula

3,4-diaminopyridine structural formula

Structural formula

Business number 016P
Molecular formula C5H7N3
Molecular weight 109.13
label

None

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 -font-kerning: 0pt”>


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


12. Saturated 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/Log value of partition coefficient (water): 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. Polarizability10-24cm3):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.

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