1,2,5,6,7,8-Hexahydroquinoline-2,5-dione - CAS 15450-69-8

Catalog:	BB011023
Product Name:	1,2,5,6,7,8-Hexahydroquinoline-2,5-dione
CAS:	15450-69-8
Synonyms:	1,6,7,8-tetrahydroquinoline-2,5-dione; 1,6,7,8-tetrahydroquinoline-2,5-dione

Technical Data

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Computed Properties

IUPAC Name:	1,6,7,8-tetrahydroquinoline-2,5-dione
Description:	1,2,5,6,7,8-Hexahydroquinoline-2,5-dione (CAS# 15450-69-8) is a useful research chemical.
Molecular Weight:	163.17
Molecular Formula:	C9H9NO2
Canonical SMILES:	C1CC2=C(C=CC(=O)N2)C(=O)C1
InChI:	InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h4-5H,1-3H2,(H,10,12)
InChI Key:	AUMQUQJTKCJMPA-UHFFFAOYSA-N
Boiling Point:	412.3 °C at 760 mmHg
Density:	1.27 g/cm³
Appearance:	Solid
LogP:	0.89390

Publication Number	Title	Priority Date
WO-2021150803-A1	Tricyclic sulfones as ror gamma modulators	20200124
WO-2020248065-A1	Unsaturated heterocycloalkyl and heteroaromatic acyl hydrazone linkers, methods and uses thereof	20190612
WO-2020177658-A1	Method for preparing tricyclic compound, and intermediate thereof	20190301
TW-202039492-A	Method for preparing triad compound and its intermediate	20190301
CN-110049985-A	Miscellaneous cyclic sulfones as ROR gamma modulators	20161013

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Carbonyl Compounds

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[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
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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:	313
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.063328530
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.063328530
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0