AG0018C6

138227-62-0 | 1-BOC-4-(4-nitrophenoxy)piperidine

AG0018C6

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CAS Number	138227-62-0
Catalog Number	AG0018C6(AGN-PC-0KL73P)
Chemical Name	1-BOC-4-(4-nitrophenoxy)piperidine
IUPAC Name	tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate
InChI	InChI=1S/C16H22N2O5/c1-16(2,3)23-15(19)17-10-8-14(9-11-17)22-13-6-4-12(5-7-13)18(20)21/h4-7,14H,8-11H2,1-3H3
InChI Key	UNNMTKGKCWNQNU-UHFFFAOYSA-N
MDL Number	MFCD06200882
Molecular Formula	C16H22N2O5
Molecular Weight	322.3563
SMILES	O=C(N1CCC(OC2=CC=C([N+]([O-])=O)C=C2)CC1)OC(C)(C)C
Synonyms	138227-62-0, tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate, 1-BOC-4-(4-nitrophenoxy)piperidine, TERT-BUTYL 4-(4-NITROPHENOXY)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE, 4-(4-Nitrophenoxy)piperidine-1-carboxylic acid tert-butyl ester, AC1MDRVE, ACMC-209chd, SCHEMBL596980, CTK4C1153, DTXSID60383402, UNNMTKGKCWNQNU-UHFFFAOYSA-N, ZINC4287642, AB1223, ANW-20447, MFCD06200882, AKOS015836926, ACN-054445, RTR-005060, 1N-Boc 4-(4'-nitrophenyl) piperidine, AJ-50251, DB-063240, TR-005060, FT-0083730, FT-0651565, V2863, 1N-BOC 4-(4'-NITROPHENOXY) PIPERIDINE, 1N-BOC-4-(4'-NITROPHENOXY) PIPERIDINE, 1-t-butoxycarbonyl-4-(4-nitrophenoxy)piperidine, 4-(1-t-butoxycarbonylpiperidin-4-yloxy)nitrobenzene, S14-2805, tert-butyl 4-(4-nitrophenoxyl)piperidine-1-carboxylate, 4-(N-(t-butoxycarbonyl)piperidin-4-yl)oxy-1-nitrobenzene, 1,1-dimethylethyl 4-(4-nitrophenoxy)-1-piperidinecarboxylate, 4-(4-nitro-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester, 4-(4-Nitro-phenoxy)piperidine-1-carboxylic acid tert-butyl ester, 4-(4-Nitrophenoxy)-1-piperidinecarboxylic acid tert-butyl ester, 1-Piperidinecarboxylic acid, 4-(4-nitrophenoxy)-, 1,1-dimethylethyl ester, 1-Piperidinecarboxylicacid, 4-(4-nitrophenoxy)-, 1,1-dimethylethyl ester, C16H22N2O5, ZINC04287642, CID2794776, A15219, B-3390,

Complexity	413
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	322.153g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	322.361g/mol
Monoisotopic Mass	322.153g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	84.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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