Tributylmethylammonium bromide

C13H30BrNCAS 37026-88-3280.29 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C13H30BrN
Molar mass
280.29 g/mol
Exact mass
279.1562 Da
Melting point
120.5–121.5 °C
logP
0.84Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
9

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
37026-88-3
SMILES
CCCC[N+](C)(CCCC)CCCC.[Br-]
InChIKey
DHAWHVVWUNNONG-UHFFFAOYSA-M
InChI
InChI=1S/C13H30N.BrH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 1-Butanaminium, N,N-dibutyl-N-methyl-, bromide (1:1)
  • 1-Butanaminium, N,N-dibutyl-N-methyl-, bromide
  • Methyltributylammonium bromide
  • N-Methyl-N,N,N-tributylammonium bromide

Work with Tributylmethylammonium bromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methyltributylammonium chloride56375-79-2Salt Tributylmethylammonium bis(trifluoromethylsulfonyl)imide405514-94-5Salt

Similar compounds

1-Butyl-1-methylpyrrolidinium bromide93457-69-395 % similar Tetrabutylammonium bromide1643-19-262 % similar 1-Butyl-1-methylpyrrolidinium hexafluorophosphate330671-29-960 % similar Trioctylmethylammonium chloride5137-55-358 % similar Tridodecylmethylammonium chloride7173-54-858 % similar N-Ethyl-N-methylpyrrolidinium bromide69227-51-657 % similar (1-Butyl)triethylammonium bromide13028-69-854 % similar Dodecyltrimethylammonium bromide1119-94-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Decyltrimethylammonium bromide2082-84-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook