AG000UCN

1303972-81-7 | 1,4-Piperidinedicarboxylic acid, 3,3-difluoro-, 1-(1,1-dimethylethyl) ester

AG000UCN

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CAS Number	1303972-81-7
Catalog Number	AG000UCN(AGN-PC-0WAIYA)
Chemical Name	1,4-Piperidinedicarboxylic acid, 3,3-difluoro-, 1-(1,1-dimethylethyl) ester
IUPAC Name	3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
InChI	InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-4-7(8(15)16)11(12,13)6-14/h7H,4-6H2,1-3H3,(H,15,16)
InChI Key	HZMYOCGJMSBEDV-UHFFFAOYSA-N
MDL Number	MFCD18909780
Molecular Formula	C11H17F2NO4
Molecular Weight	265.2538
SMILES	FC1(CN(CCC1C(=O)O)C(=O)OC(C)(C)C)F
Synonyms	1303972-81-7, 1-(TERT-BUTOXYCARBONYL)-3,3-DIFLUOROPIPERIDINE-4-CARBOXYLIC ACID, 1-BOC-3,3-DIFLUOROPIPERIDIN-4-CARBOXYLIC ACID, 1-[(tert-butoxy)carbonyl]-3,3-difluoropiperidine-4-carboxylic acid, 3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid, SCHEMBL16057979, HZMYOCGJMSBEDV-UHFFFAOYSA-N, MFCD18909780, AKOS024242350, CS-W001386, DS-7931, PB13892, KS-000006K1, AK162951, Q-4246, 1-(Boc)-3,3-Difluoropiperidine-4-carboxylic acid, 1-tert-Butoxycarbonyl-3,3-difluoro-piperidine-4-carboxylic acid, 3,3-Difluoro-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester,

Complexity	351
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.113g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	265.257g/mol
Monoisotopic Mass	265.113g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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