chempirical

4-Propylaniline

C9H13NCAS 2696-84-6135.21 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C9H13N
Molar mass
135.21 g/mol
Exact mass
135.1048 Da
Density
0.94 g/mL (at 20 °C)
Melting point
114–114.5 °C
Boiling point
225 °C
logP
2.22Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
2696-84-6
SMILES
CCCc1ccc(N)cc1
InChIKey
OAPDPORYXWQVJE-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3,10H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • Benzenamine, 4-propyl-
  • Aniline, p-propyl-
  • 4-Propylbenzenamine
  • p-n-Propylaniline
  • p-Propylaniline
  • 4-n-Propylaniline
  • p-Aminopropylbenzene
  • p-Propylaminobenzene
  • (4-Propylphenyl)amine
  • NSC 13208

Work with 4-Propylaniline

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-Butylaniline104-13-274 % similar 4-Pentylaniline33228-44-371 % similar 4-Dodecylaniline104-42-768 % similar 4-Octylbenzenamine16245-79-768 % similar 4-Hexylaniline33228-45-468 % similar 4-Decylaniline37529-30-968 % similar 4,4′-Ethylenedianiline621-95-465 % similar 4-Ethylaniline589-16-261 % similar

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

Same formula

N-Ethyl-M-toluidine102-27-2 3,4-Dimethylbenzenemethanamine102-48-7 Dimethylbenzylamine103-83-3 Dimethyl-M-toluidine121-72-2 2,4,5-Trimethylaniline137-17-7 Ethylbenzylamine14321-27-8 2-Propylaniline1821-39-2 (αS)-N,α-Dimethylbenzenemethanamine19131-99-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook