chempirical

6-Bromohexanamide

C6H12BrNOCAS 57817-55-7194.07 g/mol

Open in Covalent MOL file
NH2OBr
Alkyl halide

Properties

Molecular formula
C6H12BrNO
Molar mass
194.07 g/mol
Exact mass
193.0102 Da
Melting point
92–93 °C
logP
2.48Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
5

Identifiers

CAS number
57817-55-7
SMILES
N=C(O)CCCCCBr
InChIKey
LGCGXHIRLZORQA-UHFFFAOYSA-N
InChI
InChI=1S/C6H12BrNO/c7-5-3-1-2-4-6(8)9/h1-5H2,(H2,8,9)

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Names and synonyms

3 names
  • Hexanamide, 6-bromo-
  • 6-Bromocaproamide
  • NSC 277296

Work with 6-Bromohexanamide

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

Adipamide628-94-467 % similar Dodecanamide1120-16-758 % similar Stearamide124-26-558 % similar Behenamide3061-75-458 % similar Hexadecanamide629-54-958 % similar Tetradecanamide638-58-458 % similar Hexanamide628-02-454 % similar Succinamide110-14-550 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook