3-Chloro-6-(methylamino)pyridazine - CAS 14959-32-1

Catalog:	BB010429
Product Name:	3-Chloro-6-(methylamino)pyridazine
CAS:	14959-32-1
Synonyms:	6-chloro-N-methyl-3-pyridazinamine; 6-chloro-N-methylpyridazin-3-amine

Technical Data

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Computed Properties

IUPAC Name:	6-chloro-N-methylpyridazin-3-amine
Description:	3-Chloro-6-(methylamino)pyridazine (CAS# 14959-32-1) is a useful research chemical.
Molecular Weight:	143.57
Molecular Formula:	C5H6ClN3
Canonical SMILES:	CNC1=NN=C(C=C1)Cl
InChI:	InChI=1S/C5H6ClN3/c1-7-5-3-2-4(6)8-9-5/h2-3H,1H3,(H,7,9)
InChI Key:	IHSYIVAZIINDFR-UHFFFAOYSA-N
Boiling Point:	357.4 °C at 760 mmHg
Density:	1.338 g/cm³
Solubility:	>21.5 [ug/mL] (The mean of the results at pH 7.4)
MDL:	MFCD02178601
LogP:	1.24470

Publication Number	Title	Priority Date
WO-2021058595-A1	Herbicidal compounds	20190924
WO-2020163541-A1	Methods and compositions for modulating splicing	20190205
US-2020392117-A1	Antagonists of the muscarinic acetylcholine receptor m4	20171220
WO-2018116107-A1	Modulators of indoleamine 2,3-dioxygenase	20161220
WO-2016149437-A1	Tricyclic heterocyclic compounds useful as inhibitors of tnf	20150318

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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:	88.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.0250249
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.0250249
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1