AG002PXO

2494-56-6 | Ethanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)-, iodide (1:1)

AG002PXO

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CAS Number	2494-56-6
Catalog Number	AG002PXO(AGN-PC-0JKDCH)
Chemical Name	Ethanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)-, iodide (1:1)
EC Number	219-666-0
IUPAC Name	2-butanoyloxyethyl(trimethyl)azanium;iodide
InChI	InChI=1S/C9H20NO2.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChI Key	GALNBQVDMJRFGJ-UHFFFAOYSA-M
MDL Number	MFCD00038730
Molecular Formula	C9H20INO2
Molecular Weight	301.1651
NSC Number	97539
SMILES	C[N+](C)(C)CCOC(CCC)=O.[I-]
Synonyms	butyrylcholine, butyrylcholine bromide, butyrylcholine chloride, butyrylcholine iodide, butyrylcholine perchlorate, Butyrylcholine iodide, 2494-56-6, Butyrocholine iodide, Choline, iodide, butyrate, Butyrylcholineiodide, EINECS 219-666-0, NSC 97539, 2-Butyryloxyethyltrimethylammonium iodide, Ethanaminium, n,n,n-trimethyl-2-(1-oxobutoxy)-, iodide, AMMONIUM, (2-BUTYRYLOXYETHYL)TRIMETHYL-, IODIDE, Choline, butyrate, B-9575, Ethanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)-, iodide (1:1), CHEMBL147380, SR-01000003028, n-butyrylcholine iodide, ACMC-1CGRE, AC1L29LE, SCHEMBL1157377, CTK4F4678, KS-000015ZT, NSC97539, 8143AF, ANW-25579, MFCD00038730, NSC-97539, WLN: 3VO2K1&1&1 &I, AKOS015833237, MCULE-6382209134, TRA0034407, LS-16990, 2-butanoyloxyethyl(trimethyl)azanium iodide, DB-046587, TR-011442, B0772, FT-0634328, (2-Hydroxyethyl)trimethylammonium iodide butyrate, 2-(butyryloxy)-N,N,N-trimethylethanaminium iodide, C-50690, SR-01000003028-2, Ethanaminium,N,N-trimethyl-2-(1-oxobutoxy)-, iodide, Ethanaminium,N,N,N-trimethyl-2-(1-oxobutoxy)-, iodide (1:1), Ammonium, iodide, C9H20NO2.I, C9-H20-N-O2.I, CID17232,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.054g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	301.168g/mol
Monoisotopic Mass	301.054g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	26.3A^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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