AG003EB9

3612-18-8 | 1-ethylpiperidin-4-one

AG003EB9

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CAS Number	3612-18-8
Catalog Number	AG003EB9(AGN-PC-0JLQII)
Chemical Name	1-ethylpiperidin-4-one
EC Number	222-781-9
IUPAC Name	1-ethylpiperidin-4-one
InChI	InChI=1S/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h2-6H2,1H3
InChI Key	BDVKAMAALQXGLM-UHFFFAOYSA-N
MDL Number	MFCD00013356
Molecular Formula	C7H13NO
Molecular Weight	127.1842
SMILES	O=C1CCN(CC)CC1
Synonyms	1-Ethyl-4-piperidone, 1-Ethylpiperidin-4-one, 3612-18-8, 4-Piperidinone, 1-ethyl-, N-ethyl-4-piperidone, BDVKAMAALQXGLM-UHFFFAOYSA-N, MFCD00013356, EINECS 222-781-9, PubChem6784, N-ethylpiperid-4-one, ACMC-209ikz, 1-Ethyl-4-piperidinone, 1-ethyl-4-oxopiperidine, AC1Q6ERH, 1-ethyl-piperidin-4-one, 1-(ethyl)piperidin-4-one, 1-Ethyl-4-piperidinone #, AC1L2SH9, SCHEMBL124152, 1-Ethyl-4-piperidone, 98%, CTK3J7591, DTXSID70189694, ACT04212, KS-000015WC, ZINC2560372, ANW-28353, BBL011452, FC0488, SBB061714, STL146564, AKOS000119426, LS21102, MCULE-7687588927, PS-4025, RTC-062136, VZ21434, AJ-40566, BC683778, S973, SC-03826, DB-019171, ST2415333, TC-062136, CS-0046794, E0498, FT-0634928, ST51047698, K-8098, I13-0009, W-106642, I14-23514, F0001-1037, C7H13NO, C7-H13-N-O, CID77159, AR-1C3058, ACN-036114, 37440-41-8,

Complexity	102
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.1g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	127.187g/mol
Monoisotopic Mass	127.1g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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