AG0035ER

4086-73-1 | 1-Octylpyridinium chloride

AG0035ER

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CAS Number	4086-73-1
Catalog Number	AG0035ER(AGN-PC-0JLQVU)
Chemical Name	1-Octylpyridinium chloride
EC Number	223-818-1
IUPAC Name	1-octylpyridin-1-ium;chloride
InChI	InChI=1S/C13H22N.ClH/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;/h7,9-10,12-13H,2-6,8,11H2,1H3;1H/q+1;/p-1
InChI Key	OVIYAWWBKPWUOH-UHFFFAOYSA-M
MDL Number	MFCD08458952
Molecular Formula	C13H22ClN
Molecular Weight	227.7735
SMILES	[Cl-].C(CCCCCCC)[N+]1=CC=CC=C1
Synonyms	4086-73-1, 1-Octylpyridinium chloride, N-OCTYLPYRIDINIUM CHLORIDE, n-octylpyridiniumchloride, 1-octylpyridin-1-ium chloride, Pyridinium, 1-octyl-, chloride, 1-octylpyridin-1-ium, 1-Octyl-pyridinium, EINECS 223-818-1, octylpyridinium chloride, ACMC-20eg8c, AC1L2TN8, SCHEMBL329731, CHEMBL3222014, CTK1D8185, MFCD08458952, AKOS028108509, KS-0000017U, TX-017868, chloride, Pyridinium cationic der., C13-H22-N.Cl, CID77708,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.144g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.776g/mol
Monoisotopic Mass	227.144g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	3.9A^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

Lot Number