3,9-Diazaspiro[5.5]undecan-2-one - CAS 867006-20-0

Catalog:	BB038036
Product Name:	3,9-Diazaspiro[5.5]undecan-2-one
CAS:	867006-20-0
Synonyms:	3,9-diazaspiro[5.5]undecan-4-one; 3,9-diazaspiro[5.5]undecan-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	3,9-diazaspiro[5.5]undecan-4-one
Description:	3,9-Diazaspiro[5.5]undecan-2-one (CAS# 867006-20-0 ) is a useful research chemical.
Molecular Weight:	168.24
Molecular Formula:	C9H16N2O
Canonical SMILES:	C1CNCCC12CCNC(=O)C2
InChI:	InChI=1S/C9H16N2O/c12-8-7-9(3-6-11-8)1-4-10-5-2-9/h10H,1-7H2,(H,11,12)
InChI Key:	IAXNSRPALMNQBY-UHFFFAOYSA-N
Boiling Point:	369.8 °C at 760 mmHg
Density:	1.09 g/cm³
LogP:	0.92380

Publication Number	Title	Priority Date
CN-211226743-U	A waste water environmental protection processing apparatus for processing of 3, 9-diazaspiro [5.5] -2-undecanone	20190710
WO-2020048826-A1	5-substituted 1-oxa-3,9-diazaspiro[5.5]undecan-2-one compounds	20180903
WO-2020048828-A1	5-heteroaryl-3,9-diazaspiro[5.5]undecane compounds	20180903
WO-2020048829-A1	3,9-diazaspiro[5.5]undecane compounds	20180903
WO-2020048830-A1	5-aryl-3,9-diazaspiro[5.5]undecan-2-one compounds	20180903

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Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.126263138
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	168.126263138
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2