AG007CBM

17282-40-5 | 1-(2-Ethoxy-2-oxoethyl)pyridin-1-ium bromide

AG007CBM

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CAS Number	17282-40-5
Catalog Number	AG007CBM(AGN-PC-0JLWJ2)
Chemical Name	1-(2-Ethoxy-2-oxoethyl)pyridin-1-ium bromide
IUPAC Name	ethyl 2-pyridin-1-ium-1-ylacetate;bromide
InChI	InChI=1S/C9H12NO2.BrH/c1-2-12-9(11)8-10-6-4-3-5-7-10;/h3-7H,2,8H2,1H3;1H/q+1;/p-1
InChI Key	PXBOIFNOMWXDFC-UHFFFAOYSA-M
MDL Number	MFCD00463694
Molecular Formula	C9H12BrNO2
Molecular Weight	246.1011
NSC Number	75239
SMILES	O=C(OCC)C[N+]1=CC=CC=C1.[Br-]
Synonyms	17282-40-5, 1-(2-ethoxy-2-oxoethyl)pyridin-1-ium bromide, 1-(2-ethoxy-2-oxoethyl)pyridinium bromide, Carbethoxymethylpyridinium bromide, Ethoxycarbonylmethylpyridinium bromide, NSC 75239, Pyridinium, 1-(ethoxycarbonylmethyl)-, bromide, Pyridinium, 1-(2-ethoxy-2-oxoethyl)-, bromide, AK-60276, 1-(2-Ethoxy-2-oxoethyl)pyridiniumbromide, J-503005, ethyl 2-pyridin-1-ium-1-ylacetate bromide, AC1LBSJC, N-(ethoxycarbonylmethyl)-pyridinium bromide, AC1L3CSO, AC1Q1RHI, ethoxyoxoethylpyridiniumbromide, SCHEMBL344154, Pyridinium, 1-(carboxymethyl)-, bromide, ethyl ester, ethyl 2-pyridylacetate, bromide, CTK4D4372, KS-00000MQN, Pyridinium, bromide, ethyl ester, PXBOIFNOMWXDFC-UHFFFAOYSA-M, (Carbethoxymethyl)pyridinium bromide, NSC75239, WLN: T6KJ A1VO2 &Q &E, 8900AA, ANW-44362, MFCD00463694, NSC-75239, SBB100085, AKOS005070645, 1-ethoxycarbonylmethylpyridinium bromide, N-ethoxycarbonylmethylpyridinium bromide, RP14031, CC-01890, N-(Ethoxycarbonylmethyl)pyridinium Bromide, SC-53896, AX8006878, DB-043915, LS-132500, ST2403102, TR-007619, FT-0637522, 5F-032, C-6298, C-14973, I14-25540, Pyridinium, 1-(2-ethoxy-2-oxoethyl)-, bromide (9CI), Pyridinium,1-(2-ethoxy-2-oxoethyl)-, bromide (1:1), Pyridinium, 1-(carboxymethyl)-, bromide, ethyl ester (8CI), Pyridinium, bromide, C9H12BrNO2, C9H12NO2.Br, C9-H12-N-O2.Br, KST-1B1018, CID87028, AR-1B0784, 17637-11-5,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.005g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.104g/mol
Monoisotopic Mass	245.005g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	30.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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