AG0032TK

769944-78-7 | 1-N-Boc-4-(4-Bromophenyl)Piperidine

AG0032TK

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CAS Number	769944-78-7
Catalog Number	AG0032TK(AGN-PC-059B2H)
Chemical Name	1-N-Boc-4-(4-Bromophenyl)Piperidine
IUPAC Name	tert-butyl 4-(4-bromophenyl)piperidine-1-carboxylate
InChI	InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3
InChI Key	UEOHLUHRQWYQRT-UHFFFAOYSA-N
MDL Number	MFCD09878774
Molecular Formula	C16H22BrNO2
Molecular Weight	340.2554
SMILES	O=C(OC(C)(C)C)N2CCC(c1ccc(cc1)Br)CC2
Synonyms	1-N-Boc-4-(4-Bromophenyl)piperidine, 769944-78-7, tert-butyl 4-(4-bromophenyl)piperidine-1-carboxylate, N-BOC-4-(4-BROMOPHENYL)PIPERIDINE, 1-BOC-4-(4-BROMO-PHENYL)-PIPERIDINE, 4-(4-Bromo-phenyl)-piperidine-1-carboxylic acid tert-butyl ester, 1-PIPERIDINECARBOXYLIC ACID, 4-(4-BROMOPHENYL)-, 1,1-DIMETHYLETHYL ESTER, PubChem23403, KSC643O0F, SCHEMBL180505, CTK5E3702, KS-00000DNS, Boc 4 (4-bromophenyl)piperidine, DTXSID20650662, UEOHLUHRQWYQRT-UHFFFAOYSA-N, 1-boc-4-(4-bromophenyl)piperidine, ACT10262, ANW-72915, MFCD09878774, ZINC16697228, AKOS015837016, AB53989, AS06708, CB-3041, CS-W003678, TRA0038886, AJ-69291, AK-29520, BC004924, BC243461, BR-29520, CJ-15581, DS-11165, SC-84938, SY017015, AB0007436, ST2408852, TR-037758, 4CH-007832, FT-0648204, W8369, S-4815, MFCD09878774 (97+%), A838936, 1-(tert-Butoxycarbonyl)-4-(p-bromophenyl)piperidine, I12-0271, Q-103054, tert-butyl-4-(4-bromophenyl)piperidine-1-carboxylate, 4-(4-bromophenyl)-1-piperidinecarboxylic acid tert-butyl ester, 4-(4-bromophenyl)-piperidine-1-carboxylic acid tert-butyl ester, C16H22BrNO2, 1-N-BOC-4- PIPERIDINE,

Complexity	324
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	339.083g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	340.261g/mol
Monoisotopic Mass	339.083g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

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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