AG009WJY

1360438-13-6 | tert-Butyl 2-(piperidin-4-yl)acetate oxalate

AG009WJY

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CAS Number	1360438-13-6
Catalog Number	AG009WJY(AGN-PC-0WAF5Q)
Chemical Name	tert-Butyl 2-(piperidin-4-yl)acetate oxalate
IUPAC Name	tert-butyl 2-piperidin-4-ylacetate;oxalic acid
InChI	InChI=1S/C11H21NO2.C2H2O4/c1-11(2,3)14-10(13)8-9-4-6-12-7-5-9;3-1(4)2(5)6/h9,12H,4-8H2,1-3H3;(H,3,4)(H,5,6)
InChI Key	PXCVMBFZUZHSPU-UHFFFAOYSA-N
MDL Number	MFCD16659936
Molecular Formula	C13H23NO6
Molecular Weight	289.3248
SMILES	O=C(OC(C)(C)C)CC1CCNCC1.O=C(O)C(O)=O
Synonyms	tert-Butyl 2-(piperidin-4-yl)acetate oxalate, 1360438-13-6, AK144619, KS-00000S0W, MFCD16659936, AKOS022175678, AX8283060, ST2413868, 4CH-016212, tert-butyl 2-piperidin-4-ylacetate;oxalic acid, Piperidin-4-yl-acetic acid tert-butyl ester oxalate salt,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.153g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	289.328g/mol
Monoisotopic Mass	289.153g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number