AG002L2V

210962-44-0 | 1-Piperidinecarboxylic acid, 4-[4-(ethoxycarbonyl)phenoxy]-, 1,1-dimethylethyl ester

AG002L2V

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CAS Number	210962-44-0
Catalog Number	AG002L2V(AGN-PC-0QXNJL)
Chemical Name	1-Piperidinecarboxylic acid, 4-[4-(ethoxycarbonyl)phenoxy]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-(4-ethoxycarbonylphenoxy)piperidine-1-carboxylate
InChI	InChI=1S/C19H27NO5/c1-5-23-17(21)14-6-8-15(9-7-14)24-16-10-12-20(13-11-16)18(22)25-19(2,3)4/h6-9,16H,5,10-13H2,1-4H3
InChI Key	RQAFJRAGEIMIBQ-UHFFFAOYSA-N
MDL Number	MFCD13184258
Molecular Formula	C19H27NO5
Molecular Weight	349.4214
SMILES	O=C(N1CCC(OC2=CC=C(C(OCC)=O)C=C2)CC1)OC(C)(C)C
Synonyms	210962-44-0, tert-Butyl 4-(4-(ethoxycarbonyl)phenoxy)piperidine-1-carboxylate, ethyl 4-(1-t-butoxycarbonyl-4-piperidyloxy)benzoate, SCHEMBL1375168, DTXSID80472544, RQAFJRAGEIMIBQ-UHFFFAOYSA-N, MFCD13184258, ZINC36434068, AJ-92829, AK143630, AX8282874, 4-(4-Ethoxycarbonylphenoxy)piperidine-1-carboxylic acid tert-butyl ester, 1-Piperidinecarboxylic acid, 4-[4-(ethoxycarbonyl)phenoxy]-, 1,1-dimethylethyl ester, tert-butyl 4-[4-(ethoxycarbonyl)phenoxy]tetrahydro-1(2H)-pyridinecarboxylate, CID11783050, Tert-butyl 4-(4-ethoxycarbonylphenoxy)piperidine-1-carboxylate,

Complexity	443
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	349.189g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	349.427g/mol
Monoisotopic Mass	349.189g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	65.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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