5-Amino-3-chloropyridazine - CAS 29049-45-4

Catalog:	BB020061
Product Name:	5-Amino-3-chloropyridazine
CAS:	29049-45-4
Synonyms:	6-chloro-4-pyridazinamine; 6-chloropyridazin-4-amine

Technical Data

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Computed Properties

IUPAC Name:	6-chloropyridazin-4-amine
Description:	5-Amino-3-chloropyridazine (CAS# 29049-45-4) is a compound useful in organic synthesis.
Molecular Weight:	129.55
Molecular Formula:	C4H4ClN3
Canonical SMILES:	C1=C(C=NN=C1Cl)N
InChI:	InChI=1S/C4H4ClN3/c5-4-1-3(6)2-7-8-4/h1-2H,(H2,6,8)
InChI Key:	VZPMXMNGPUEPAS-UHFFFAOYSA-N
Boiling Point:	368.296 °C at 760 mmHg
Density:	1.437 g/cm³
LogP:	1.29340

Publication Number	Title	Priority Date
WO-2021198149-A1	Substituted 3-phenoxyazetidin-1-yl-pyrazines having gpr52 agonistic activity	20200330
TW-202102480-A	6-oxo-1,6-dihydropyridazine prodrug derivative, preparation method therefor, and medical applications thereof	20190220
WO-2020169042-A1	6-oxo-1,6-dihydropyridazine prodrug derivative, preparation method therefor, and application thereof in medicine	20190220
CN-112996776-A	6-oxo-1, 6-dihydropyridazine prodrug derivatives, preparation method and application thereof in medicines	20190220
WO-2020140959-A1	6-oxo-1,6-dihydropyridazine derivative, preparation method therefor and medical use thereof	20190104

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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