AG005789

769944-73-2 | 3-(4-Bromophenyl)piperidine-1-carboxylic acid tert-butyl ester

AG005789

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CAS Number	769944-73-2
Catalog Number	AG005789(AGN-PC-07YNGP)
Chemical Name	3-(4-Bromophenyl)piperidine-1-carboxylic acid tert-butyl ester
IUPAC Name	tert-butyl 3-(4-bromophenyl)piperidine-1-carboxylate
InChI	InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-10-4-5-13(11-18)12-6-8-14(17)9-7-12/h6-9,13H,4-5,10-11H2,1-3H3
InChI Key	WRSHWNCUNYWQBB-UHFFFAOYSA-N
MDL Number	MFCD11223610
Molecular Formula	C16H22BrNO2
Molecular Weight	340.2554
SMILES	CC(C)(C)OC(=O)N1CCCC(C1)C1=CC=C(Br)C=C1
Synonyms	769944-73-2, 1-Boc-3-(4-Bromophenyl)piperidine, tert-butyl 3-(4-bromophenyl)piperidine-1-carboxylate, 3-(4-Bromophenyl)piperidine-1-carboxylic acid tert-butyl ester, 3-(4-Bromo-phenyl)-piperidine-1-carboxylic acid tert-butyl ester, tert-Butyl 3-(4-bromophenyl) piperidine-1-carboxylate, 1-N-Boc-3-(4-bromophenyl)piperidine, PubChem17298, SCHEMBL1673620, CTK5E3701, KS-00001BRE, DTXSID50676734, WRSHWNCUNYWQBB-UHFFFAOYSA-N, BCP20379, BCP23127, ANW-66528, CT0153, MFCD11223610, AKOS015841249, ACN-039402, CB-3334, AK-40560, AK185301, AN-27347, AS-49458, BC004218, AX8162248, DB-002256, TC-069626, CS-0039085, FT-0083325, FT-0651374, ST24037808, Y6393, A25997, 223B610, tert-butyl3-(4-bromophenyl)piperidine-1-carboxylate, I14-13148, (S)-tert-butyl3-(4-bromophenyl)piperidine-1-carboxylate, 3-(4-bromophenyl)-piperidine-1-carboxylic acid tert-butyl ester, 1-PIPERIDINECARBOXYLIC ACID, 3-(4-BROMOPHENYL)-, 1,1-DIMETHYLETHYL ESTER, C16H22BrNO2, tert-Butyl (3s)-3-(4-bromophenyl)-piperidine-1-carboxylate, 1476776-55-2, Tert-butyl (S)-3-(4-bromophenyl)piperidine-1-carboxylate, TERT-BUTYL (3S)-3-(4-BROMOPHENYL)PIPERIDINE-1-CARBOXYLATE,

Complexity	332
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	1
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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