chempirical

1-Bromoeicosane

C20H41BrCAS 4276-49-7361.45 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C20H41Br
Molar mass
361.45 g/mol
Exact mass
360.2392 Da
Melting point
37–38 °C
logP
8.42Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
18

Identifiers

CAS number
4276-49-7
SMILES
CCCCCCCCCCCCCCCCCCCCBr
InChIKey
CZASMUMJSKOHFJ-UHFFFAOYSA-N
InChI
InChI=1S/C20H41Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-20H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Eicosane, 1-bromo-
  • Eicosyl bromide
  • n-Eicosyl bromide
  • NSC 87634
  • 1-Ecosyl bromide
  • 1-Bromoicosane

Work with 1-Bromoeicosane

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

1-Bromohexane111-25-1100 % similar 1-Bromooctane111-83-1100 % similar 1-Bromodecane112-29-8100 % similar 1-Bromotetradecane112-71-0100 % similar 1-Bromohexadecane112-82-3100 % similar 1-Bromooctadecane112-89-0100 % similar 1-Bromoheptadecane3508-00-7100 % similar 1-Bromoheptane629-04-9100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook