5-Chloropyridazin-3-amine - CAS 1314978-36-3

Catalog:	BB007431
Product Name:	5-Chloropyridazin-3-amine
CAS:	1314978-36-3
Synonyms:	5-chloro-3-pyridazinamine; 5-chloropyridazin-3-amine

Technical Data

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Computed Properties

IUPAC Name:	5-chloropyridazin-3-amine
Description:	5-Chloropyridazin-3-amine (CAS# 1314978-36-3) is an intermediate used to prepare aminopyrazines as novel, potent Nav1.7 antagonists.
Molecular Weight:	129.55
Molecular Formula:	C4H4ClN3
Canonical SMILES:	C1=C(C=NN=C1N)Cl
InChI:	InChI=1S/C4H4ClN3/c5-3-1-4(6)8-7-2-3/h1-2H,(H2,6,8)
InChI Key:	FLLHRDDIQGNYLR-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD19214495
LogP:	0.64230

Publication Number	Title	Priority Date
CN-111574521-A	Substituted aromatic fused ring derivatives, compositions and uses thereof	20190218
WO-2020168963-A1	Substituted fused aromatic ring derivative, composition and use thereof	20190218
AU-2018392816-A1	Chromenopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222
WO-2019126730-A1	Chromenopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222
BR-112020012644-A2	chromenopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.0093748
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	129.0093748
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1