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3,4-Diaminopyridine(CAS No. 54-96-6)

3,4-Diaminopyridine C5H7N3 (cas 54-96-6) Molecular Structure

54-96-6 Structure

Identification and Related Records

【Name】
3,4-Diaminopyridine
【Iupac name】
pyridine-3,4-diamine
【CAS Registry number】
54-96-6
【EINECS(EC#)】
200-220-9
【Molecular Formula】
C5H7N3 (Products with the same molecular formula)
【Molecular Weight】
109.13
【Inchi】
InChI=1/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)
【Canonical SMILES】
C1=CN=CC(=C1N)N
【MOL File】
54-96-6.mol

Chemical and Physical Properties

【Appearance】
slightly beige powder
【Density】
1.251g/cm3
【Melting Point】
216-221℃
【Boiling Point】
369.3°Cat760mmHg
【Flash Point】
240℃
【Water】
24 g/L (20℃)
【Solubilities】
24 g/l
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29333999
【Storage temp】
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:109.12918 [g/mol]
Molecular Formula:C5H7N3
XLogP3-AA:-0.5
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:0
Tautomer Count:6
Exact Mass:109.063997
MonoIsotopic Mass:109.063997
Topological Polar Surface Area:64.9
Heavy Atom Count:8
Formal Charge:0
Complexity:74.1
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Cation Count:2
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
T:Toxic
【Risk Statements】
R25;R36/37/38
【Safety Statements 】
S26;S28;S37/39;S45
【HazardClass】
6.1
【Hazard Note】

Irritant

【PackingGroup 】
I
【Transport】
UN 2811

Biomedical Effects and Toxicity

【Pharmacological Action】
- A class of drugs that act by inhibition of potassium efflux through cell membranes. Blockade of potassium channels prolongs the duration of ACTION POTENTIALS. They are used as ANTI-ARRHYTHMIA AGENTS and VASODILATOR AGENTS.

Supplier Location

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Telephone:86-21-60542966

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