AG002TR4

26576-85-2 | Pyridinium, 1-butyl-3-methyl-, bromide (1:1)

AG002TR4

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CAS Number	26576-85-2
Catalog Number	AG002TR4(AGN-PC-0NI884)
Chemical Name	Pyridinium, 1-butyl-3-methyl-, bromide (1:1)
IUPAC Name	1-butyl-3-methylpyridin-1-ium;bromide
InChI	InChI=1S/C10H16N.BrH/c1-3-4-7-11-8-5-6-10(2)9-11;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1
InChI Key	GNPWBXOERPGDFI-UHFFFAOYSA-M
MDL Number	MFCD01632121
Molecular Formula	C10H16BrN
Molecular Weight	230.1447
SMILES	CC1=C[N+](CCCC)=CC=C1.[Br-]
Synonyms	1-butyl-3-methylpyridinium, 1-butyl-3-methylpyridinium bromide, 1-Butyl-3-methylpyridinium Bromide, 26576-85-2, 1-butyl-3-methylpyridin-1-ium bromide, N-BUTYL-3-METHYLPYRIDINIUM BROMIDE, ACMC-1CCC2, DSSTox_CID_29115, DSSTox_RID_83334, DSSTox_GSID_49259, SCHEMBL194547, CHEMBL3184777, DTXSID3049259, CTK4F8170, 1-Butyl-3-methylpyridiniumBromide, N-butyl-3-metylpyridinium bromide, Tox21_202679, ANW-26028, MFCD01632121, AKOS015833017, TRA0075814, KS-000012Y0, NCGC00260227-01, AK308371, AS-10288, AB1010989, CAS-26576-85-2, TR-012037, B3104, Pyridinium,1-butyl-3-methyl-, bromide (1:1), Pyridinium, 1-butyl-3-methyl-, bromide (1:1), J-016480, I14-100118, N-BUTYL-3-METHYLPYRIDINIUMBROMIDE,

Complexity	101
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 Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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