chempirical

4-Hexylaniline

C12H19NCAS 33228-45-4177.29 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C12H19N
Molar mass
177.29 g/mol
Exact mass
177.1517 Da
Melting point
76–76.5 °C
Boiling point
146–148 °C (at 17 Torr)
logP
3.39Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Identifiers

CAS number
33228-45-4
SMILES
CCCCCCc1ccc(N)cc1
InChIKey
OVEMTTZEBOCJDV-UHFFFAOYSA-N
InChI
InChI=1S/C12H19N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6,13H2,1H3

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Names and synonyms

7 names
  • Benzenamine, 4-hexyl-
  • Aniline, p-hexyl-
  • 4-Hexylbenzenamine
  • p-n-Hexylaniline
  • p-Hexylaniline
  • 4-n-Hexylaniline
  • 4-Hexylphenylamine

Work with 4-Hexylaniline

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

4-Dodecylaniline104-42-7100 % similar 4-Octylbenzenamine16245-79-7100 % 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

2,6-Diisopropylaniline24544-04-5 N,N-Bis(1-methylethyl)benzenamine4107-98-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook