AG007RXI

18747-42-7 | Methylisopelletierine

AG007RXI

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CAS Number	18747-42-7
Catalog Number	AG007RXI(AGN-PC-0JLWEJ)
Chemical Name	Methylisopelletierine
IUPAC Name	1-(1-methylpiperidin-2-yl)propan-2-one
InChI	InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3
InChI Key	TYHJMEIBGDDCPA-UHFFFAOYSA-N
MDL Number	MFCD01672923
Molecular Formula	C9H17NO
Molecular Weight	155.2374
SMILES	CC(CC1N(C)CCCC1)=O
Synonyms	Methylisopelletierine, 18747-42-7, (1-Methyl-2-piperidyl)acetone, 1-(1-methylpiperidin-2-yl)propan-2-one, 1-(1-Methyl-2-piperidinyl)acetone, N-Methylpelletierine, N-Methylisopelletierine, (+/-)-N-Methylpelletierine, (+/-)-1-Methylpelletierine, Methylpelletierine, N-Methylpelletierine, (+/-)-, Methyl-isopelletierin, 2-Propanone, 1-(1-methyl-2-piperidinyl)-, C06184, AC1L3CB2, AC1Q5H2O, a-N-Methylpelletierin-b-one, CHEBI:7321, NIOSH/AL6480000, SCHEMBL14430402, CTK4D9542, TYHJMEIBGDDCPA-UHFFFAOYSA-N, 1-(1-methyl-2-piperidyl)acetone, Acetone, (1-methyl-2-piperidyl)-, SBB087083, AKOS000278131, AKOS017341561, 1-(1-Methyl-2-piperidinyl)acetone #, MCULE-7888596089, 1-(1-Methyl-2-piperidinyl)-2-propanone, 2-Propanone, (1-methyl-2-piperidinyl)-, 4CN-1489, LS-13195, 2-Propanone,1-(1-methyl-2-piperidinyl)-, AL64800000, W1084, 2-Propanone, 1-(1-methyl-2-piperidinyl)-, (.+/-.)-, UNII-7A42OMR1WL, 7A42OMR1WL, C9H17NO, KST-1A2359, CID86786, AR-1A0949, 2-Propanone, 1-(1-methyl-2-piperidinyl)-, (.+.)-, 19097-44-0,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.131g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	155.241g/mol
Monoisotopic Mass	155.131g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number