chempirical

4-Octylbenzenamine

C14H23NCAS 16245-79-7205.35 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C14H23N
Molar mass
205.35 g/mol
Exact mass
205.1830 Da
Melting point
20 °C
Boiling point
310 °C
logP
4.17Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
7

Identifiers

CAS number
16245-79-7
SMILES
CCCCCCCCc1ccc(N)cc1
InChIKey
ORKQJTBYQZITLA-UHFFFAOYSA-N
InChI
InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzenamine, 4-octyl-
  • Aniline, p-octyl-
  • p-n-Octylaniline
  • p-Octylaniline
  • 4-n-Octylaniline
  • 4-Octylaniline
  • 4-Octylphenylamine

Work with 4-Octylbenzenamine

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-Dodecylaniline104-42-7100 % 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

3,5-Bis(1,1-dimethylethyl)benzenamine2380-36-1 4-(1-Butylpentyl)pyridine2961-47-9 2,6-Di-tert-butyl-4-methylpyridine38222-83-2 N,N-Dibutylbenzenamine613-29-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook