AG009Y1J

1434126-93-8 | (2S)-2-Methylpiperidin-4-one trifluoroacetic acid

AG009Y1J

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CAS Number	1434126-93-8
Catalog Number	AG009Y1J(AGN-PC-0WCJB3)
Chemical Name	(2S)-2-Methylpiperidin-4-one trifluoroacetic acid
IUPAC Name	(2S)-2-methylpiperidin-4-one;2,2,2-trifluoroacetic acid
InChI	InChI=1S/C6H11NO.C2HF3O2/c1-5-4-6(8)2-3-7-5;3-2(4,5)1(6)7/h5,7H,2-4H2,1H3;(H,6,7)/t5-;/m0./s1
InChI Key	QGYSTDMFHTYSAV-JEDNCBNOSA-N
MDL Number	MFCD26959103
Molecular Formula	C8H12F3NO3
Molecular Weight	227.1810
SMILES	O=C1C[C@H](C)NCC1.O=C(O)C(F)(F)F
Synonyms	1434126-93-8, (S)-2-Methylpiperidin-4-one 2,2,2-trifluoroacetate, (2S)-2-Methyl-4-piperidone tfa, (2S)-2-methylpiperidin-4-one; trifluoroacetic acid, KS-000004AM, MFCD26959103, AKOS025289620, SB11155, AK170901, AS-33929, (2S)-2-Methyl-4-piperidone trifluoroacetate, CS-0053434, (2S)-2-methylpiperidin-4-one;trifluoroacetic acid, (2S)-2-Methylpiperidin-4-one trifluoroacetic acid, (S)-2-Methylpiperidin-4-one hydrochloride,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	227.077g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	227.183g/mol
Monoisotopic Mass	227.077g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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