AG0034F1

81514-40-1 | 9-Benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one

AG0034F1

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CAS Number	81514-40-1
Catalog Number	AG0034F1(AGN-PC-00Q1AP)
Chemical Name	9-Benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
IUPAC Name	9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
InChI	InChI=1S/C14H17NO2/c16-14-6-12-9-17-10-13(7-14)15(12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChI Key	QNGMGMDGAYWQHD-UHFFFAOYSA-N
MDL Number	MFCD20134206
Molecular Formula	C14H17NO2
Molecular Weight	231.2903
SMILES	C(C1=CC=CC=C1)N1C2COCC1CC(C2)=O
Synonyms	9-Benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one, 81514-40-1, 3-Oxa-9-azabicyclo[3.3.1]nonan-7-one, 9-(phenylmethyl)-, AK-50544, SCHEMBL853058, CTK3E4376, DTXSID50576129, QNGMGMDGAYWQHD-UHFFFAOYSA-N, KS-000006US, ANW-49571, AKOS015901099, CS-W001648, FCH2845309, FS-3430, PB34984, TRA-0184625, BR-50544, SY016038, AB0026837, AX8213965, DB-023892, TC-138316, 4CH-010562, FT-0714659, ST24024593, W8586, S-6598, MFCD20134206 (97+%), 9-benzyl-3-oxa-9-aza-bicyclo[3.3.1]nonan-7-one, I14-15483, C14H17NO2, ACN-040672,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.126g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.295g/mol
Monoisotopic Mass	231.126g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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