chempirical

(3-Bromopropyl)trimethylammonium bromide

C6H15Br2NCAS 3779-42-8261.00 g/mol

Open in Covalent MOL file
N+BrBr−
Alkyl halideQuaternary ammonium

Properties

Molecular formula
C6H15Br2N
Molar mass
261.00 g/mol
Exact mass
258.9571 Da
Melting point
208 °C
logP
-1.52Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
3779-42-8
SMILES
C[N+](C)(C)CCCBr.[Br-]
InChIKey
NNZGNZHUGJAKKT-UHFFFAOYSA-M
InChI
InChI=1S/C6H15BrN.BrH/c1-8(2,3)6-4-5-7;/h4-6H2,1-3H3;1H/q+1;/p-1

Weigh it out

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Names and synonyms

6 names
  • 1-Propanaminium, 3-bromo-N,N,N-trimethyl-, bromide (1:1)
  • Ammonium, (3-bromopropyl)trimethyl-, bromide
  • 1-Propanaminium, 3-bromo-N,N,N-trimethyl-, bromide
  • N,N,N-Trimethyl-N-3-bromopropylammonium bromide
  • 3-Bromo-N,N,N-trimethyl-1-propanaminium bromide
  • (3-Bromopropyl)trimethylazanium bromide

Work with (3-Bromopropyl)trimethylammonium 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

Similar compounds

Decamethonium bromide541-22-062 % similar Hexamethonium bromide55-97-062 % similar Dodecyltrimethylammonium bromide1119-94-450 % similar Tetradecyltrimethylammonium bromide1119-97-750 % similar Octadecyltrimethylammonium bromide1120-02-150 % similar Decyltrimethylammonium bromide2082-84-050 % similar Octyltrimethylammonium bromide2083-68-350 % similar Cetrimonium bromide57-09-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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