AG002LGS

2291-58-9 | 9-Azabicyclo[3.3.1]nonan-3-one, 9-(phenylmethyl)-

AG002LGS

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CAS Number	2291-58-9
Catalog Number	AG002LGS(AGN-PC-0JQZON)
Chemical Name	9-Azabicyclo[3.3.1]nonan-3-one, 9-(phenylmethyl)-
IUPAC Name	9-benzyl-9-azabicyclo[3.3.1]nonan-3-one
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
MDL Number	MFCD00144851
Molecular Formula	C15H19NO
Molecular Weight	229.3175
SMILES	C(C1=CC=CC=C1)N1C2CC(CC1CCC2)=O
Synonyms	9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one, 2291-58-9, 2291-59-0, 9-Azabicyclo[3.3.1]nonan-3-one, 9-(phenylmethyl)-, 9-BENZYL-3-OXO-9-AZABICYCLO[3.3.1]NONANE, 9-BENZYL-9-AZABICYCLO(3.3.1)NONAN-3-ONE, Maybridge3_004114, AC1L9HX5, AC1Q6EH6, Oprea1_610735, SCHEMBL911191, Jsp004620, CTK0I8208, BVEFCNSLJKPSEA-UHFFFAOYSA-N, HMS1442K22, CCG-45117, AKOS006028678, AC-2444, MCULE-4459714050, PB29027, SB21699, TRA0096071, IDI1_015501, KS-000008G3, AK110515, CS-11003, SC-27255, SY001220, 9-Benzyl-9-azabicyclo[3.3.1]nona-7-one, AB0063801, AB1001172, DB-013077, N-Benzyl-9-azabicyclo[3.3.1]nonan-3-one, TC-308047, AM20030393, CS-0047221, FT-0724755, 9-Benzyl-9-aza-bicyclo[3.3.1]nonan-3-one, 9-benzyl-9-azabicyclo[3.3.1-]nonan-3-one, EN300-50167, Q-1037, MFCD00144851 (97+%), A816422, 9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-one, SR-01000634905-1, I14-17546, Z291279262, null, CID419531, NSC116041, 13139-16-7, 81879-64-3,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.147g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.323g/mol
Monoisotopic Mass	229.147g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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