AG00E9MY

61546-01-8 | 1-Hexadecyl-3-Methylimidazolium Chloride

AG00E9MY

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CAS Number	61546-01-8
Catalog Number	AG00E9MY(AGN-PC-0BSAAF)
Chemical Name	1-Hexadecyl-3-Methylimidazolium Chloride
IUPAC Name	1-hexadecyl-3-methylimidazol-3-ium;chloride
InChI	InChI=1S/C20H39N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;/h18-20H,3-17H2,1-2H3;1H/q+1;/p-1
InChI Key	ZCPPLZJPPBIWRU-UHFFFAOYSA-M
MDL Number	MFCD03427608
Molecular Formula	C20H39ClN2
Molecular Weight	342.9901
NSC Number	747260
SMILES	CN1C=C[N+](CCCCCCCCCCCCCCCC)=C1.[Cl-]
Synonyms	1-hexadecyl-3-methylimidazolium chloride, 1-HEXADECYL-3-METHYLIMIDAZOLIUM CHLORIDE, 61546-01-8, NSC-747260, AC1MC0NN, DSSTox_CID_27899, DSSTox_RID_82652, DSSTox_GSID_47923, SCHEMBL295427, CHEMBL595912, DTXSID8047923, ZCPPLZJPPBIWRU-UHFFFAOYSA-M, Tox21_200600, MFCD03427608, NSC747260, AKOS032945818, 1-Hexadecyl-3-Methyimidazolium Chloride, 1-methyl-3-hexadecylimidazolium chloride, NCGC00258154-01, 1-methyl-3-hexadecyl imidazolium chloride, CAS-61546-01-8, 1-hexadecyl-3-methylimidazol-3-ium chloride, 1-hexadecyl-3-methylimidazol-3-ium,chloride, CID2734231, 3-hexadecyl-1-methyl-imidazole Chloride, 1H-Imidazolium, 1-hexadecyl-3-methyl-, chloride, C540044,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	342.28g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	342.996g/mol
Monoisotopic Mass	342.28g/mol
Rotatable Bond Count	15
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	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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