AG005H0P

81879-64-3 | 3-Benzyl-3-azabicyclo[3.3.1]nonan-9-one

AG005H0P

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CAS Number	81879-64-3
Catalog Number	AG005H0P(AGN-PC-00Q1AT)
Chemical Name	3-Benzyl-3-azabicyclo[3.3.1]nonan-9-one
IUPAC Name	3-benzyl-3-azabicyclo[3.3.1]nonan-9-one
InChI	InChI=1S/C15H19NO/c17-15-13-7-4-8-14(15)11-16(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2
InChI Key	TWCUMUDCNSLOTN-UHFFFAOYSA-N
MDL Number	MFCD10666933
Molecular Formula	C15H19NO
Molecular Weight	229.3175
SMILES	O=C1C2CN(CC3=CC=CC=C3)CC1CCC2
Synonyms	3-benzyl-3-azabicyclo[3.3.1]nonan-9-one, 81879-64-3, C15H19NO, AC1Q6DVN, SCHEMBL2852290, CTK3E3784, DTXSID60576130, TWCUMUDCNSLOTN-UHFFFAOYSA-N, KS-000007WI, MFCD10666933, CS-W000765, NE45411, AS-52575, N-benzyl-3-azabicyclo[3.3.1]nonan-9-one, 3-Benzyl-3-azabicyclo[3.3.1]nonane-9-one, N-benzyl-3-azabicyclo[3.3.1]nonane-9-one, EN300-33654, A1-02710, 3-Azabicyclo[3.3.1]nonan-9-one, 3-(phenylmethyl)-,

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	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

Lot Number