AG003U3J

54899-89-7 | Quinoline iso-Amyl iodide

AG003U3J

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CAS Number	54899-89-7
Catalog Number	AG003U3J(AGN-PC-0SIA3S)
Chemical Name	Quinoline iso-Amyl iodide
IUPAC Name	1-(3-methylbutyl)quinolin-1-ium;iodide
InChI	InChI=1S/C14H18N.HI/c1-12(2)9-11-15-10-5-7-13-6-3-4-8-14(13)15;/h3-8,10,12H,9,11H2,1-2H3;1H/q+1;/p-1
InChI Key	JAHQMMYIQANKBZ-UHFFFAOYSA-M
MDL Number	MFCD00060040
Molecular Formula	C14H18IN
Molecular Weight	327.2039
SMILES	[I-].CC(C)CC[N+]1=C2C=CC=CC2=CC=C1
Synonyms	QUINOLINE ISO-AMYL IODIDE, 54899-89-7, Quinolineisoamyliodide, Quinoline Isopentyl Iodide, Quinolineisoamyliodide; 98%, 1-isopentylquinolinium iodide, SCHEMBL18154052, FT-0640277, Q0012, C-19894, Quinoline Isoamyl Iodide, AC1O1IC4, QUINOLINEISO-AMYLIODIDE, 1-(3-methylbutyl)quinoline Iodide, CID6097044, 1-(3-methylbutyl)quinolin-1-ium iodide, I14-63492,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	327.0484g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	327.2g/mol
Monoisotopic Mass	327.0484g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	3.9Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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