3,4,5,6,7,8-Hexahydro-2(1H)-quinolinone - CAS 10333-11-6

Catalog:	BB001087
Product Name:	3,4,5,6,7,8-Hexahydro-2(1H)-quinolinone
CAS:	10333-11-6
Synonyms:	3,4,5,6,7,8-hexahydro-1H-quinolin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,4,5,6,7,8-hexahydro-1H-quinolin-2-one
Description:	3,4,5,6,7,8-Hexahydro-2(1H)-quinolinone (CAS# 10333-11-6 ) is a useful research chemical.
Molecular Weight:	151.21
Molecular Formula:	C9H13NO
Canonical SMILES:	C1CCC2=C(C1)CCC(=O)N2
InChI:	InChI=1S/C9H13NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H2,(H,10,11)
InChI Key:	QKNPGPYFWRUKRM-UHFFFAOYSA-N
Boiling Point:	361 °C at 760 mmHg
Melting Point:	143-146 °C(lit.)
Purity:	95 %
Density:	1.09 g/cm³
MDL:	MFCD00012091
LogP:	2.05330

Publication Number	Title	Priority Date
WO-2013103150-A1	Acid adduct salt of substituted pyridine compound	20120106
WO-2012005343-A1	Substituted pyridine compound	20100709
AU-2009314310-A1	Pyridine, bicyclic pyridine and related analogs as sirtuin modulators	20081029
CA-2742297-A1	Pyridine, bicyclic pyridine and related analogs as sirtuin modulators	20081029
EP-2350051-A1	Pyridine, bicyclic pyridine and related analogs as sirtuin modulators	20081029

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Related Functional Groups

Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[203506-30-3]
2-Amino-6-methoxy-3-methylquinoline
[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[30740-95-5]
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester

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:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.099714038
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	151.099714038
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7