chempirical

4-Bromo-N,N-diethylbenzenamine

C10H14BrNCAS 2052-06-4228.13 g/mol

Open in Covalent MOL file
NBr
Aryl halideTertiary amine

Properties

Molecular formula
C10H14BrN
Molar mass
228.13 g/mol
Exact mass
227.0310 Da
Melting point
38 °C
Boiling point
270 °C
logP
3.30Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
2052-06-4
SMILES
CCN(CC)c1ccc(Br)cc1
InChIKey
NGYMZFJVHHKJQR-UHFFFAOYSA-N
InChI
InChI=1S/C10H14BrN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Benzenamine, 4-bromo-N,N-diethyl-
  • Aniline, p-bromo-N,N-diethyl-
  • 4-Bromo-N,N-diethylaniline
  • p-Bromo-N,N-diethylaniline
  • N,N-Diethyl-4-bromoaniline
  • 4-(Diethylamino)bromobenzene
  • NSC 8071
  • N-(4-Bromophenyl)diethylamine
  • N,N-Diethyl-p-bromoaniline

Work with 4-Bromo-N,N-diethylbenzenamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N-Diethyl-P-toluidine613-48-958 % similar Diethylaniline91-66-756 % similar 4-(Diethylamino)benzaldehyde120-21-850 % similar N,N-Diethyl-4-nitrosoaniline120-22-950 % similar N,N-Diethyl-P-phenylenediamine hydrochloride2198-58-550 % similar Tris(4-bromophenyl)amine4316-58-950 % similar 4-Bromo-N′,N′-dimethylaniline586-77-650 % similar 4,4-Bis(diethylamino)benzophenone90-93-750 % similar

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

Same formula

2-Bromo-4-(tert-butyl)aniline103273-01-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook