chempirical

4-Butylaniline

C10H15NCAS 104-13-2149.24 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C10H15N
Molar mass
149.24 g/mol
Exact mass
149.1204 Da
Density
0.946 g/mL (at 20 °C)
Melting point
80.5–81.5 °C
Boiling point
261 °C
logP
2.61Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
104-13-2
SMILES
CCCCc1ccc(N)cc1
InChIKey
OGIQUQKNJJTLSZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzenamine, 4-butyl-
  • Aniline, p-butyl-
  • 4-Butylbenzenamine
  • p-Butylaniline
  • p-Aminobutylbenzene
  • p-n-Butylaniline
  • 4-n-Butylaniline
  • p-Butylaminobenzene
  • (4-Butylphenyl)amine

Work with 4-Butylaniline

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-Pentylaniline33228-44-387 % similar 4-Dodecylaniline104-42-783 % similar 4-Octylbenzenamine16245-79-783 % similar 4-Hexylaniline33228-45-483 % similar 4-Decylaniline37529-30-983 % similar 4-Propylaniline2696-84-674 % similar 4,4′-Ethylenedianiline621-95-459 % similar n-Butylbenzene104-51-858 % similar

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

Same formula

Isopropylbenzylamine102-97-6 N-Butylaniline1126-78-9 Benzenebutanamine13214-66-9 (αS)-N,N,α-Trimethylbenzenemethanamine17279-31-1 (αR)-N,N,α-Trimethylbenzenemethanamine19342-01-9 2-Amino-p-cymene2051-53-8 1-Methyl-3-phenylpropylamine22148-77-2 1-Methyl-3-phenylpropylamine22374-89-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook