AG00ANHS

193537-11-0 | 1-PIPERIDINECARBOXYLIC ACID, 4-(1-CYANO-2-ETHOXY-2-OXOETHYLIDENE)-, 1,1-DIMETHYLETHYL ESTER

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CAS Number	193537-11-0
Catalog Number	AG00ANHS(AGN-PC-00BEQP)
Chemical Name	1-PIPERIDINECARBOXYLIC ACID, 4-(1-CYANO-2-ETHOXY-2-OXOETHYLIDENE)-, 1,1-DIMETHYLETHYL ESTER
IUPAC Name	tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
InChI	InChI=1S/C15H22N2O4/c1-5-20-13(18)12(10-16)11-6-8-17(9-7-11)14(19)21-15(2,3)4/h5-9H2,1-4H3
InChI Key	FYSWQLWLYPQLMR-UHFFFAOYSA-N
MDL Number	MFCD11977347
Molecular Formula	C15H22N2O4
Molecular Weight	294.3462
SMILES	CCOC(=O)C(C#N)=C1CCN(CC1)C(=O)OC(C)(C)C
Synonyms	193537-11-0, TERT-BUTYL 4-(1-CYANO-2-ETHOXY-2-OXOETHYLIDENE)PIPERIDINE-1-CARBOXYLATE, 4-(1-Cyano-2-ethoxy-2-oxoethylidene)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester, SCHEMBL344971, CTK4E1282, DTXSID90468458, FYSWQLWLYPQLMR-UHFFFAOYSA-N, 0025AB, ANW-68031, MFCD11977347, ZINC35786954, AKOS015897885, ACM193537110, AJ-92118, AM803445, NS-04952, AX8237746, TC-156776, CS-0046864, A813648, I12-0578, tert-butyl-4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate, 1-Piperidinecarboxylicacid, 4-(1-cyano-2-ethoxy-2-oxoethylidene)-, 1,1-dimethylethyl ester, 4-(1-cyano-2-ethoxy-2-oxoethylidene)-1-piperidinecarboxylic acid tert-butyl ester, alpha-Cyano-1-(tert-butoxycarbonyl)piperidine-4-ylideneacetic acid ethyl ester, tert-butyl 4-(1-cyano-2-ethoxy-2-oxidanylidene-ethylidene)piperidine-1-carboxylate, 1-Piperidinecarboxylic acid, 4-(1-cyano-2-ethoxy-2-oxoethylidene)-, 1,1-dimethylethyl ester, C15H22N2O4, CID11551073, tert-Butyl4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate, Tert-butyl 4-(cyano-ethoxycarbonyl-methylidene)piperidine-1-carboxylate, tert-Butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate, 95% - 1G 1g,

Complexity	484
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	294.158g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	294.351g/mol
Monoisotopic Mass	294.158g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	79.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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