AG003CVC

72544-16-2 | 1-Isobutylpiperidin-4-one

AG003CVC

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CAS Number	72544-16-2
Catalog Number	AG003CVC(AGN-PC-0L74RD)
Chemical Name	1-Isobutylpiperidin-4-one
EC Number	276-712-2
IUPAC Name	1-(2-methylpropyl)piperidin-4-one
InChI	InChI=1S/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3
InChI Key	KMTASGXMTBUSSP-UHFFFAOYSA-N
MDL Number	MFCD00190595
Molecular Formula	C9H17NO
Molecular Weight	155.2374
SMILES	O=C1CCN(CC(C)C)CC1
Synonyms	1-Isobutylpiperidin-4-one, 72544-16-2, 1-Isobutyl-4-piperidone, n-isobutyl-4-piperidone, 1-(2-methylpropyl)piperidin-4-one, 1-(2-Methylpropyl)-4-piperidone, 4-Piperidinone, 1-(2-methylpropyl)-, EINECS 276-712-2, AC1N5SZS, SCHEMBL1181641, CTK5D6449, DTXSID70222858, KMTASGXMTBUSSP-UHFFFAOYSA-N, ZINC2556461, ANW-60757, MFCD00190595, 4-Piperidinone,1-(2-methylpropyl)-, AKOS000187708, DS-2384, RP21964, TRA0015410, VZ33323, KS-0000116G, 1-(2-Methylpropyl)-4-piperidone, 97%, AJ-39908, AK-80460, AN-37417, SC-46263, AB0031511, ST2415367, TC-149502, A9434, FT-0672186, X4619, M-7581, I14-47364, Z1492698433, Rifabutin impurity A, European Pharmacopoeia (EP) Reference Standard, C9H17NO, C9-H17-N-O, CID4202451, 1-(2-Methylpropyl)-4-piperidone, 97% - 1G 1g,

Complexity	133
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	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number