AG00HB90

108897-26-3 | (2R,3R)-1-benzyl-2,3-dimethylpiperidin-4-one

AG00HB90

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CAS Number	108897-26-3
Catalog Number	AG00HB90(AGN-PC-0K2SC2)
Chemical Name	(2R,3R)-1-benzyl-2,3-dimethylpiperidin-4-one
IUPAC Name	1-benzyl-2,3-dimethylpiperidin-4-one
InChI	InChI=1S/C14H19NO/c1-11-12(2)15(9-8-14(11)16)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChI Key	PUVALBABJRFOQO-UHFFFAOYSA-N
MDL Number	MFCD03768188
Molecular Formula	C14H19NO
Molecular Weight	217.3068
SMILES	CC1N(CC2=CC=CC=C2)CCC(=O)C1C
Synonyms	1-benzyl-2,3-dimethylpiperidin-4-one, 108897-26-3, 2,3-dimethyl-1-benzylpiperidin-4-one, ZERO/005022, AC1NAR5R, ChemDiv2_002659, SCHEMBL15718355, PUVALBABJRFOQO-UHFFFAOYSA-N, HMS1376I19, SBB002460, STK681100, AKOS005596358, MCULE-5591501439, ST081404, Piperidin-4-one, 1-benzyl-2,3-dimethyl-, EN300-78847, 1-BENZYL-2,3-DIMETHYLPIPERIDIN-4-ONE HYDROCHLORIDE, CID4431382,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.147g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.312g/mol
Monoisotopic Mass	217.147g/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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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