AG004SFY

84449-80-9 | 4-(2-Piperidinoethoxy)benzoic acid, HCl

AG004SFY

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CAS Number	84449-80-9
Catalog Number	AG004SFY(AGN-PC-0LRMLS)
Chemical Name	4-(2-Piperidinoethoxy)benzoic acid, HCl
EC Number	282-882-9
IUPAC Name	4-(2-piperidin-1-ylethoxy)benzoic acid;hydrochloride
InChI	InChI=1S/C14H19NO3.ClH/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15;/h4-7H,1-3,8-11H2,(H,16,17);1H
InChI Key	CMVTYSMYHSVDIU-UHFFFAOYSA-N
MDL Number	MFCD06657755
Molecular Formula	C14H20ClNO3
Molecular Weight	285.7665
SMILES	O=C(O)C1=CC=C(OCCN2CCCCC2)C=C1.[H]Cl
Synonyms	84449-80-9, 4-(2-(Piperidin-1-yl)ethoxy)benzoic acid hydrochloride, 4-(2-Piperidinoethoxy)benzoic acid hydrochloride, 4-[2-(1-Pipiridine)ethoxybenzoic acid hydrochloride, 166975-76-4, 4-[2-(1-Piperidyl)ethoxy]benzoic Acid Hydrochloride, 4-(2-piperidin-1-ylethoxy)benzoic acid hydrochloride, 4-(2-Piperidin-1-Yl-Ethoxy)Benzoic acid hydrochloride, 4-(2-Piperidin-1-yl-ethoxy)-benzoic acid hydrochloride, 4-[2-(piperidin-1-yl)ethoxy]benzoic acid hydrochloride, AK-26357, W-104118, 4-(2-Piperidinoethoxy)benzoic acid hydrochloride(1:1), 4-[2-PIPERIDINOETHOXY]BENZOIC ACID HYDROCHLORIDE, Benzoic acid, 4-(2-(1-piperidinyl)ethoxy)-, hydrochloride, Benzoic acid, 4-[2-(1-piperidinyl)ethoxy]-, hydrochloride, EINECS 282-882-9, AC1NX4VH, DSSTox_CID_31630, DSSTox_RID_97514, DSSTox_GSID_57841, KSC652G4N, SCHEMBL228100, CHEMBL3560778, DTXSID4057841, CTK5F2346, CMVTYSMYHSVDIU-UHFFFAOYSA-N, BCP08881, KS-00000JQ0, Tox21_113785, ANW-51361, CP-261, MFCD06657755, AKOS000441572, AC-8394, AN-8065, CS-W021983, EBD1377973, MCULE-3589319632, RP29929, RTR-037963, NCGC00253659-01, 4-(2-Piperidinoethoxy)benzoic acid, HCl, AN-30988, AS-11052, BR-26357, CC-16330, FS011327, SC-16240, SC-43514, SY017666, AB0008620, AX8022819, CAS-84449-80-9, ST2410954, TR-037963, 4CH-011647, AM20050067, FT-0641957, FT-0655452, MFCD06657755 (95%), M-1351, 4-(2-piperidinoethoxy) benzoic acid hydrochloride, 4-(2-piperidinoethoxy)benzoic acid hydrochloride;, 4-(2-piperidinoethoxy)benzoic acid, hydrochloride, 449P809, A810806, C-17995, I01-118, 4-(2-piperidino-ethoxy)benzoic acid, hydrochloride, 4-(2-piperidinoethoxy)-benzoic acid hydrochloride;, 4-(2-piperidinoethoxy)-benzoic acid, hydrochloride, 4-[2-(1-pyrrolidinyl) ethoxy] benzoic acid hydroch, 4-[2-(piperidinyl)ethoxy]benzoic acid hydrochloride, J-513245, 4-(2-piperidin-1-ylethoxy)benzoic acid hydrochloride;, 4-(2-piperidin-1-ylethoxy)benzoic acid;hydrochloride, 4-(2-(Piperidin-1-yl)ethoxy)-benzoic acid hydrochloride, 4-(2-Piperodin-1-yl-ethoxy)-benzoic acid hydrochloride, 4-[2-(Piperidin-1-yl)ethoxy]benzoic acid hydrochloride;, 4-[2-(-piperidinyl)ethoxy]benzoic acid hydrochloride salt;, 4-(2-(piperidin-1-yl)-ethoxy)benzoic acid monohydrochloride;, Benzoic acid,4-[2-(1-piperidinyl)ethoxy]-, hydrochloride (1:1), C14H20ClNO3, C14H19NO3.ClH, 4-(2-Piperidinoethoxy)benzoic acid HCl, C14-H19-N-O3.Cl-H, 4-[2- ethoxybenzoicacidhydrochloride, ACN-028465, CID5743835, 4-(2-(piperidin-1-yl)ethoxy)benzoyl chloride, 4-[2-(1-piperidino)ethoxy]benzoic acid hydrochloride, 4-[2-(1-Pipiridine)ethoxybenzoicacidhydrochloride, 4-(2-(Piperidin-1-yl)ethoxy)benzoicacidhydrochloride, 4-[2-(1-piperidinyl)ethoxy]benzoic acid hydrochloride, 4-[2-(1-Pipiridine)ethoxybenzoic acid hydrochloride?, 4-[2-(1-pyrrolidinyl)ethoxy]benzoic acid hydrochloride,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	285.113g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	285.768g/mol
Monoisotopic Mass	285.113g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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