9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one - CAS 2291-58-9

Catalog:	BB017813
Product Name:	9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one
CAS:	2291-58-9
Synonyms:	9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-one; 9-benzyl-9-azabicyclo[3.3.1]nonan-3-one

Technical Data

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Computed Properties

IUPAC Name:	9-benzyl-9-azabicyclo[3.3.1]nonan-3-one
Description:	9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one (CAS# 2291-58-9) is a useful research chemical.
Molecular Weight:	229.32
Molecular Formula:	C15H19NO
Canonical SMILES:	C1CC2CC(=O)CC(C1)N2CC3=CC=CC=C3
InChI:	InChI=1S/C15H19NO/c17-15-9-13-7-4-8-14(10-15)16(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2
InChI Key:	BVEFCNSLJKPSEA-UHFFFAOYSA-N
LogP:	2.71050

Publication Number	Title	Priority Date
CN-112876472-A	Process for the preparation of 9-azabicyclo [3.3.1] non-N-oxyl radicals	20191129
US-2020338073-A1	Pyrimidine jak inhibitors for the treatment of skin diseases	20190424
WO-2020219640-A1	Pyrimidine jak inhibitors for the treatment of skin diseases	20190424
TW-202106681-A	Pyrimidine jak inhibitors for the treatment of skin diseases	20190424
JP-2018203670-A	Process for producing 9-benzyl-9-azabicyclo [3.3.1] nonan-3-one and its precursor	20170606

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Related Functional Groups

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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:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.146664230
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	229.146664230
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2