AG0037W9

40110-55-2 | Ethyl 2-(1-benzylpiperidin-4-ylidene)acetate

AG0037W9

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CAS Number	40110-55-2
Catalog Number	AG0037W9(AGN-PC-0N3GMJ)
Chemical Name	Ethyl 2-(1-benzylpiperidin-4-ylidene)acetate
IUPAC Name	ethyl 2-(1-benzylpiperidin-4-ylidene)acetate
InChI	InChI=1S/C16H21NO2/c1-2-19-16(18)12-14-8-10-17(11-9-14)13-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13H2,1H3
InChI Key	ZKKOLEGJTTYPDH-UHFFFAOYSA-N
MDL Number	MFCD08437068
Molecular Formula	C16H21NO2
Molecular Weight	259.3434
SMILES	C(C1=CC=CC=C1)N1CCC(CC1)=CC(=O)OCC
Synonyms	40110-55-2, Ethyl 2-(1-benzylpiperidin-4-ylidene)acetate, Ethyl 2-(1-benzyl-4-piperidinylidene)acetate, ETHYL (1-BENZYLPIPERIDIN-4-YLIDENE)ACETATE, Ethyl 2-(1-benzyl-4-piperidylidene)acetate, (1-BENZYLPIPERIDIN-4-YLIDENE)ACETIC ACID ETHYL ESTER, ethyl (1-benzylpiperidin-4-ylidene]acetate, ethyl 2-[1-benzyl-4-piperidylidene]acetate, ethyl 2-(1-benzylpiperidin-4-ylidene)acetate,, SCHEMBL4579407, CTK4I2476, DTXSID80438983, ZKKOLEGJTTYPDH-UHFFFAOYSA-N, ZINC8729972, ZX-AT012245, 2600AE, CE-631, MFCD08437068, SBB102199, AKOS005067746, CS-W001563, FA-0864, OR12094, RP07879, ACM40110552, KS-0000250Q, SY096548, DB-012399, TR-016011, FT-0680994, MFCD08437068 (95%), ethyl 2-(1-benzylpiperidine-4-ylidene)acetate, 1-Benzylpiperidine-4-ylideneacetic acid ethyl ester, I14-8906, J-520572, (1-BENZYL-PIPERIDIN-4-YLIDENE)-ACETIC ACID ETHYL ESTER, ACETICACIDETHYLESTER, C16H21NO2, CID10377866,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.157g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	259.349g/mol
Monoisotopic Mass	259.157g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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