1-Methyl-1,10-phenanthrolin-2(1H)-one - CAS 31535-89-4

Name: 1-Methyl-1,10-phenanthrolin-2(1H)-one
Brand: BOC Sciences
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Catalog:	BB020966
Product Name:	1-Methyl-1,10-phenanthrolin-2(1H)-one
CAS:	31535-89-4
Synonyms:	1-methyl-1,10-phenanthrolin-2-one; 1-methyl-1,10-phenanthrolin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-methyl-1,10-phenanthrolin-2-one
Description:	1-Methyl-1,10-phenanthrolin-2(1H)-one (CAS# 31535-89-4 ) is a useful research chemical.
Molecular Weight:	210.23
Molecular Formula:	C13H10N2O
Canonical SMILES:	CN1C(=O)C=CC2=C1C3=C(C=CC=N3)C=C2
InChI:	InChI=1S/C13H10N2O/c1-15-11(16)7-6-10-5-4-9-3-2-8-14-12(9)13(10)15/h2-8H,1H3
InChI Key:	IXAWJXFNSQYESB-UHFFFAOYSA-N
LogP:	2.08670

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-2683725-A1	Rare earth metal complex having phenanthroline compound as ligand	20110311
EP-2683725-B1	Rare earth metal complex having phenanthroline compound as ligand	20110311
JP-2014509585-A	Rare earth metal complexes with phenanthroline compounds as ligands	20110311
US-2014058073-A1	Rare earth metal complex having phenanthroline compound as ligand	20110311
US-9187690-B2	Rare earth metal complex having phenanthroline compound as ligand	20110311

Complexity:	326
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.079312947
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.079312947
Rotatable Bond Count:	0
Topological Polar Surface Area:	33.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8