4-Amino-3-chloropyridine - CAS 19798-77-7

Name: 4-Amino-3-chloropyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015302
Product Name:	4-Amino-3-chloropyridine
CAS:	19798-77-7
Synonyms:	3-chloro-4-pyridinamine; 3-chloropyridin-4-amine
Application:	4-Amino-3-chloropyridine is a chlorinated heteroarylamine. 4-Amino-3-chloropyridine is used in the preparation of inhibitor of phosphodiesterase type 4 (PDE4) as antiasthmatic agents as well as other pyridine based pharmaceutical agents

Technical Data

IUPAC Name:	3-chloropyridin-4-amine
Description:	A derivative of Fampridine. Fampridine is a potent convulsant.
Molecular Weight:	128.56
Molecular Formula:	C5H5ClN2
Canonical SMILES:	C1=CN=CC(=C1N)Cl
InChI:	InChI=1S/C5H5ClN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
InChI Key:	KJBKPRMEMJKXDV-UHFFFAOYSA-N
Boiling Point:	250.9 °C at 760 mmHg
Melting Point:	58-62 °C
Purity:	> 95 %
Density:	1.326 g/cm³
Solubility:	16.3 [ug/mL] (The mean of the results at pH 7.4)
Appearance:	White solid
MDL:	MFCD03984473
LogP:	1.89840

GHS Hazard Statement:	H302 (71.43%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	76.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.0141259
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.0141259
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8