AG003E6K

65350-59-6 | 1-Butyl-4-methylpyridin-1-ium bromide

AG003E6K

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CAS Number	65350-59-6
Catalog Number	AG003E6K(AGN-PC-00MRKY)
Chemical Name	1-Butyl-4-methylpyridin-1-ium bromide
IUPAC Name	1-butyl-4-methylpyridin-1-ium;bromide
InChI	InChI=1S/C10H16N.BrH/c1-3-4-7-11-8-5-10(2)6-9-11;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1
InChI Key	UWVZAZVPOZTKNM-UHFFFAOYSA-M
MDL Number	MFCD06798209
Molecular Formula	C10H16BrN
Molecular Weight	230.1447
SMILES	[Br-].C(CCC)[N+]1=CC=C(C=C1)C
Synonyms	1-Butyl-4-methylpyridinium bromide, 65350-59-6, 1-butyl-4-methylpyridin-1-ium bromide, Pyridinium,1-butyl-4-methyl-, bromide (1:1), 4MBPBr, 1-BUTYL-4-METHYLPYRIDINIUMBROMIDE, ACMC-1BDT3, DSSTox_CID_29302, DSSTox_RID_83420, DSSTox_GSID_49345, SCHEMBL193632, CHEMBL3182875, DTXSID2049345, CTK5C2600, N-butyl-4-metylpyridinium bromide, UWVZAZVPOZTKNM-UHFFFAOYSA-M, N-butyl-4-methylpyridinium bromide, Tox21_202683, ANW-35034, MFCD06798209, AKOS015833018, TRA0071316, VZ21330, KS-0000142H, 1-butyl-4-methyl-pyridin-1-ium bromide, NCGC00260231-01, AS-10289, CC-04300, AB1010988, CAS-65350-59-6, DB-019099, TR-022247, B2700, FT-0641009, A835078, C-13319, I14-100376,

Complexity	93
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.047g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.149g/mol
Monoisotopic Mass	229.047g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	3.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319
Precuationary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Siginal words

Certificate of Analysis

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