3-Methylpyridazine - CAS 1632-76-4

Catalog:	BB011983
Product Name:	3-Methylpyridazine
CAS:	1632-76-4
Synonyms:	3-methylpyridazine

Technical Data

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Computed Properties

IUPAC Name:	3-methylpyridazine
Description:	3-Methylpyridazine can be used to diagnose and treat cardiovascular diseases and conditions.
Molecular Weight:	94.11
Molecular Formula:	C5H6N2
Canonical SMILES:	CC1=NN=CC=C1
InChI:	InChI=1S/C5H6N2/c1-5-3-2-4-6-7-5/h2-4H,1H3
InChI Key:	MXDRPNGTQDRKQM-UHFFFAOYSA-N
Boiling Point:	214 °C
Purity:	97.0 %
Density:	1.031 g/cm³
Appearance:	Yellow-brown liquid
MDL:	MFCD00006469
LogP:	0.78500

Publication Number	Title	Priority Date
JP-2020152892-A	Polyimide	20191125
WO-2021096860-A1	Mcl1 inhibitors	20191112
GB-2587424-A	Three dimensional printed parts made by additive manufacturing using cyanoacrylates in post processing	20190930
WO-2021063845-A1	Three dimensional printed parts made by additive manufacturing using cyanoacrylates in post processing	20190930
WO-2021047584-A1	SUBSTITUTED (2-AZABICYCLO [3.1.0] HEXAN-2-YL) PYRAZOLO [1, 5-a] PYRIMIDINE AND IMIDAZO [1, 2-b] PYRIDAZINE COMPOUNDS AS TRK KINASES INHIBITORS	20190911

PMID	Publication Date	Title	Journal
22475074	20120420	Synthesis and photophysical investigation of a series of push-pull arylvinyldiazine chromophores	The Journal of organic chemistry
22224093	20110701	A Lack of tolerance to the anxiolytic action of Echium amoenum	Research in pharmaceutical sciences
20131858	20100305	2-Pyridylnitrene and 3-pyridazylcarbene and their relationship via ring-expansion, ring-opening, ring-contraction, and fragmentation	The Journal of organic chemistry
12659891	20030401	A study by ultraviolet spectroscopy on the self-association of diazines in aqueous solution	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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[20074-67-3]
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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:	54
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	94.053098200
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	94.053098200
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3