AG002JMN

2083-68-3 | 1-Octanaminium, N,N,N-trimethyl-, bromide (1:1)

AG002JMN

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CAS Number	2083-68-3
Catalog Number	AG002JMN(AGN-PC-0JLBYO)
Chemical Name	1-Octanaminium, N,N,N-trimethyl-, bromide (1:1)
IUPAC Name	trimethyl(octyl)azanium;bromide
InChI	InChI=1S/C11H26N.BrH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1
InChI Key	XCOHAFVJQZPUKF-UHFFFAOYSA-M
MDL Number	MFCD00051873
Molecular Formula	C11H26BrN
Molecular Weight	252.2348
NSC Number	97247
SMILES	CCCCCCCC[N+](C)(C)C.[Br-]
Synonyms	octyltrimethylammonium, octyltrimethylammonium bromide, octyltrimethylammonium chloride, octyltrimethylammonium iodide, trimethyloctylammonium, 2083-68-3, n-Octyltrimethylammonium bromide, Octalone, N,N,N-trimethyloctan-1-aminium bromide, Octyltrimethylammonium bromide, Trimethyloctylammonium bromide, 1-Octanaminium, N,N,N-trimethyl-, bromide, MFCD00051873, N,N,N-Trimethyl-1-octanaminium bromide, Trimethyloctylammonium bromide (6CI,7CI), CHEBI:346954, trimethyloctylamine, bromide, trimethyl(octyl)azanium bromide, N-OCTYLTRIMETHYLAMMONIUMBROMIDE, AC1LC2WD, ACMC-209ff1, AC1L2MY4, C11H26N.Br, Capryltrimethylammonium bromide, SCHEMBL121066, AC1Q1R91, CHEMBL149390, Trimethyl-octyl-ammonium bromide, CTK1A2496, KS-00000VZH, Trimethyl-n-octylammonium Bromide, XCOHAFVJQZPUKF-UHFFFAOYSA-M, Ammonium, trimethyloctyl-, bromide, NSC97247, 7572AH, ANW-24251, NSC-97247, SBB060103, AKOS015833041, MCULE-9239605360, AK163555, LS-97841, SC-21394, Ammonium, trimethyloctyl-, bromide (8CI), TR-030918, O0163, ST24048155, ST51046343, Trimethyloctylammonium bromide, >=98.0% (AT), 1-Octanaminium, N,N,N-trimethyl-, bromide (1:1), I14-18548, CID74964, AR-1K0956, n-Octyltrimethylammonium bromide, 99% - 100G 100g, 21356-07-0,

Complexity	91.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.125g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	252.24g/mol
Monoisotopic Mass	251.125g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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