Cyclopropyl(4-pyridyl)methanone - CAS 39512-48-6

Catalog:	BB024006
Product Name:	Cyclopropyl(4-pyridyl)methanone
CAS:	39512-48-6
Synonyms:	cyclopropyl(pyridin-4-yl)methanone; cyclopropyl(pyridin-4-yl)methanone

Technical Data

Patents

Computed Properties

IUPAC Name:	cyclopropyl(pyridin-4-yl)methanone
Description:	Cyclopropyl(4-pyridyl)methanone (CAS# 39512-48-6 ) is a useful research chemical.
Molecular Weight:	147.17
Molecular Formula:	C9H9NO
Canonical SMILES:	C1CC1C(=O)C2=CC=NC=C2
InChI:	InChI=1S/C9H9NO/c11-9(7-1-2-7)8-3-5-10-6-4-8/h3-7H,1-2H2
InChI Key:	SHJWQQOAIREZMT-UHFFFAOYSA-N
Boiling Point:	86 - 90 °C (3 mmHg)
LogP:	1.67430

Publication Number	Title	Priority Date
WO-2012152983-A1	Phenyl- sulfonyl derivatives as mediators of trpa1 receptor activity for the treatment of pain	20110506
EP-1325004-A1	1,2,5,10-tetrahydropyridazino[4,5-b]quinoline-1,10-diones and their use for the treatment of pain	20000929
JP-2004509965-A	1,2,5,10-tetrahydropyridazino [4,5-b] quinoline-1,10-dione and its use for treating pain	20000929
US-2004053929-A1	1, 2, 5, 10-tetrahydropyridazino[4,5-b]quinoline-1,10-diones and their use for the treatment of pain	20000929
US-6946463-B2	1,2,5,10-tetrahydropyridazino[4,5-b]quinoline-1,10-diones and their use for the treatment of pain	20000929

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Carbonyl Compounds

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1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.068413911
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	147.068413911
Rotatable Bond Count:	2
Topological Polar Surface Area:	30
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9