AG00267D

178631-05-5 | 1H-Imidazolium, 3-hexyl-1-methyl-, iodide (1:1)

AG00267D

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CAS Number	178631-05-5
Catalog Number	AG00267D(AGN-PC-0BSL0D)
Chemical Name	1H-Imidazolium, 3-hexyl-1-methyl-, iodide (1:1)
IUPAC Name	1-hexyl-3-methylimidazol-3-ium;iodide
InChI	InChI=1S/C10H19N2.HI/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1
InChI Key	CZIUVCSYOGFUPH-UHFFFAOYSA-M
MDL Number	MFCD12964976
Molecular Formula	C10H19IN2
Molecular Weight	294.1757
SMILES	C[N+]1=CN(CCCCCC)C=C1.[I-]
Synonyms	1-HEXYL-3-METHYLIMIDAZOLIUM IODIDE, 178631-05-5, 1-Hexyl-3-methyl-1H-imidazol-3-ium iodide, MFCD12964976, 1-N-Hexyl-3-Methylimidazolium Iodide, 98%, DSSTox_CID_27927, DSSTox_RID_82680, DSSTox_GSID_47951, SCHEMBL380390, CHEMBL3185895, DTXSID0047951, CTK8E3253, CZIUVCSYOGFUPH-UHFFFAOYSA-M, 1-methyl-3-hexylimidazolium iodide, 1-hexyl-3-me-thylimidazolium iodide, Tox21_200752, AKOS027384051, NCGC00258306-01, AK402405, RT-006315, CAS-178631-05-5, 1-Hexyl-3-methylimidazolium iodide, >=98% (HPLC), 1H-Imidazolium,1-hexyl-3-methyl-,iodide, 1H-Imidazolium, 1-hexyl-3-methyl-, iodide, H1633,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	294.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	294.18g/mol
Monoisotopic Mass	294.059g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	8.8A^2
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+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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