chempirical

4-Dodecylaniline

C18H31NCAS 104-42-7261.45 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C18H31N
Molar mass
261.45 g/mol
Exact mass
261.2457 Da
Melting point
40.5 °C
Boiling point
220–221 °C
logP
5.73Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
11

Identifiers

CAS number
104-42-7
SMILES
CCCCCCCCCCCCc1ccc(N)cc1
InChIKey
KLPPPIIIEMUEGP-UHFFFAOYSA-N
InChI
InChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16H,2-12,19H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Benzenamine, 4-dodecyl-
  • Aniline, p-dodecyl-
  • 4-Dodecylbenzenamine
  • p-Dodecylaniline
  • (p-Aminododecyl)benzene
  • 4-n-Dodecylaniline
  • 1-(p-Aminophenyl)dodecane
  • 4-Dodecylphenylamine

Work with 4-Dodecylaniline

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

4-Octylbenzenamine16245-79-7100 % similar 4-Hexylaniline33228-45-4100 % similar 4-Decylaniline37529-30-9100 % similar 4-Pentylaniline33228-44-396 % similar 4-Butylaniline104-13-283 % similar 4-Propylaniline2696-84-668 % similar Decylbenzene104-72-362 % similar Hexylbenzene1077-16-362 % similar

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

Same formula

2,4,6-Tris(1,1-dimethylethyl)benzenamine961-38-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook