CAS 552-70-5 | 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one | CAS Number 552-70-5

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552-70-5 | 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one

CAS No: 552-70-5 Catalog No: AG003NLE MDL No:MFCD00078161

Product Description

Catalog Number:

AG003NLE

Chemical Name:

9-Methyl-9-azabicyclo[3.3.1]nonan-3-one

CAS Number:

552-70-5

Molecular Formula:

C9H15NO

Molecular Weight:

153.2215

MDL Number:

MFCD00078161

IUPAC Name:

9-methyl-9-azabicyclo[3.3.1]nonan-3-one

InChI:

InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3

InChI Key:

RHWSKVCZXBAWLZ-UHFFFAOYSA-N

SMILES:

O=C1CC2CCCC(C1)N2C

EC Number:

209-021-1

NSC Number:

116056

Properties

Complexity:

162

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

153.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

153.225g/mol

Monoisotopic Mass:

153.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

Title	Journal
13C GIAO DFT calculation as a tool for configuration prediction of N-O group in saturated heterocyclic N-oxides.	Magnetic resonance in chemistry : MRC 20120601
Association constants of pyridine and piperidine alkaloids to amyloid beta peptide determined by electrochemical impedance spectroscopy.	Current Alzheimer research 20100301
Dolasetron overdose resulting in prolonged QTc interval and severe hypotension: a case report and literature review.	Emergency medicine journal : EMJ 20070701