AG007862

170842-80-5 | 1-tert-Butyl 3-ethyl 3-benzylpiperidine-1,3-dicarboxylate

AG007862

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CAS Number	170842-80-5
Catalog Number	AG007862(AGN-PC-02IMTQ)
Chemical Name	1-tert-Butyl 3-ethyl 3-benzylpiperidine-1,3-dicarboxylate
IUPAC Name	1-O-tert-butyl 3-O-ethyl 3-benzylpiperidine-1,3-dicarboxylate
InChI	InChI=1S/C20H29NO4/c1-5-24-17(22)20(14-16-10-7-6-8-11-16)12-9-13-21(15-20)18(23)25-19(2,3)4/h6-8,10-11H,5,9,12-15H2,1-4H3
InChI Key	ZTGGNYIHGLOCJH-UHFFFAOYSA-N
MDL Number	MFCD11500859
Molecular Formula	C20H29NO4
Molecular Weight	347.4486
SMILES	CCOC(=O)C1(CC2=CC=CC=C2)CCCN(C1)C(=O)OC(C)(C)C
Synonyms	170842-80-5, 1-tert-Butyl 3-ethyl 3-benzylpiperidine-1,3-dicarboxylate, Ethyl 1-Boc-3-benzylpiperidine-3-carboxylate, MFCD11500859, 3-Benzylpiperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester, 1-Boc-3-benzylpiperidine-3-carboxylic acid ethyl ester, SCHEMBL6862156, CTK8B6980, DTXSID40599281, ZTGGNYIHGLOCJH-UHFFFAOYSA-N, CS-M2146, KS-00001ET2, 8775AA, ANW-55528, BBL101105, STL554901, AKOS005256887, RTR-007494, SY031421, AX8182246, TR-007494, FT-0681278, MFCD11500859 (95%), X-4203, 1-(tert-Butyl) 3-ethyl 3-benzylpiperidine-1,3-dicarboxylate, (+/-)-N-(t-butoxycarbonyl)-3-(carboethoxy)-3-(phenylmethyl)-piperidine, 3-Benzylpiperidine-1,3-dicarboxylic acid1-tert-butyl ester 3-ethyl ester, 1,3-Piperidinedicarboxylic acid,3-(phenylMethyl)-,1-(1,1-diMethylethyl) 3-ethyl ester, 1,3-Piperidinedicarboxylicacid,3-(phenylmethyl)-,1-(1,1-dimethylethyl)3-ethylester, 3-Benzylpiperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester, AldrichCPR, C20H29NO4, 1,3-Piperidinedicarboxylic acid, 3-(phenylmethyl)-, 1-(1,1-dimethylethyl) 3-ethyl ester,

Complexity	465
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	347.21g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	347.455g/mol
Monoisotopic Mass	347.21g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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