AG003JOQ

64697-40-1 | 1-Methyl-3-n-octylimidazolium chloride

AG003JOQ

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CAS Number	64697-40-1
Catalog Number	AG003JOQ(AGN-PC-0HH9MY)
Chemical Name	1-Methyl-3-n-octylimidazolium chloride
IUPAC Name	1-methyl-3-octylimidazol-1-ium;chloride
InChI	InChI=1S/C12H23N2.ClH/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;/h10-12H,3-9H2,1-2H3;1H/q+1;/p-1
InChI Key	OXFBEEDAZHXDHB-UHFFFAOYSA-M
MDL Number	MFCD03095432
Molecular Formula	C12H23ClN2
Molecular Weight	230.7774
NSC Number	747264
SMILES	C[N+]1=CN(CCCCCCCC)C=C1.[Cl-]
Synonyms	1-methyl-3-octylimidazolium chloride, 64697-40-1, 1-Methyl-3-n-octylimidazolium Chloride, 1-Methyl-3-octylimidazolium chloride, 1-octyl-3-methylimidazolium chloride, 3-METHYL-1-OCTYLIMIDAZOLIUM CHLORIDE, CHEBI:61342, MFCD03095432, NSC-747264, OMIMCl, ACMC-20aj1j, AC1MC0N0, DSSTox_CID_27849, DSSTox_RID_82602, DSSTox_GSID_47873, KSC491C7J, SCHEMBL193010, CHEMBL593110, DTXSID5047873, CTK3J1174, OXFBEEDAZHXDHB-UHFFFAOYSA-M, KS-00000V1G, 3-methyl-1-octylimidazole, chloride, Tox21_200135, ANW-34935, ANW-75605, NSC747264, 1-methyl-3-octyl imidazolium chloride, 1-methyl-3-octyl-imidazolium chloride, AKOS015833172, AKOS015898334, MCULE-1431989851, RTR-022128, TRA0074162, 1-methyl-3-octylimidazol-1-ium chloride, NCGC00257689-01, AK176369, AN-24798, AS-40007, SY033840, 1-methyl-3-octyl-imidazol-1-ium chloride, 3-METHYL-1-OCTYLIMIDAZOLIUMCHLORIDE, AB1010981, CAS-64697-40-1, TC-164350, TR-022128, M2062, ST51037699, 1-methyl-3-octyl-1H-imidazol-3-ium chloride, 3-methyl-1-octyl-1H-imidazol-3-ium chloride, MFCD03095432 (97%), I11-0630, Q-102708, 1-Methyl-3-octylimidazolium chloride, >=97.0% (HPLC), 1-methyl-3-octyl-imidazole Chloride, CID2734223, 1-Octyl-3-methylimidazolium chloride, 98% - 25G 25g,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.155g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.78g/mol
Monoisotopic Mass	230.155g/mol
Rotatable Bond Count	7
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	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number