Decahydroquinoxaline - CAS 90410-24-5

Catalog:	BB039845
Product Name:	Decahydroquinoxaline
CAS:	90410-24-5
Synonyms:	1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline; 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline

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Computed Properties

IUPAC Name:	1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
Description:	Decahydroquinoxaline (CAS# 90410-24-5) is a useful reagent in the preparation of piperazines via the biocatalytic reaction of diamines with dicarbonyl compounds.
Molecular Weight:	140.23
Molecular Formula:	C8H16N2
Canonical SMILES:	C1CCC2C(C1)NCCN2
InChI:	InChI=1S/C8H16N2/c1-2-4-8-7(3-1)9-5-6-10-8/h7-10H,1-6H2
InChI Key:	MDEXMBGPIZUUBI-UHFFFAOYSA-N
Boiling Point:	231.555 °C at 760 mmHg
Density:	0.932 g/cm³
LogP:	1.14800

Publication Number	Title	Priority Date
JP-6912016-B1	STING working compound	20200410
WO-2021205631-A1	Sting agonistic compound	20200410
WO-2021206158-A1	Method of cancer therapy	20200410
WO-2021206160-A1	Antibody-drug complex	20200410
JP-2021151996-A	Pharmaceutical composition containing a phenylacetic acid compound	20200319

PMID	Publication Date	Title	Journal
18595721	20080801	Design, synthesis, and biological evaluation of pirenzepine analogs bearing a 1,2-cyclohexanediamine and perhydroquinoxaline units in exchange for the piperazine ring as antimuscarinics	Bioorganic & medicinal chemistry

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Complexity:	99.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.131348519
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	140.131348519
Rotatable Bond Count:	0
Topological Polar Surface Area:	24.1
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5