chempirical

4-Pentylaniline

C11H17NCAS 33228-44-3163.26 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C11H17N
Molar mass
163.26 g/mol
Exact mass
163.1361 Da
Density
0.95 g/mL (at 20 °C)
Boiling point
130 °C (at 16 Torr)
logP
3.00Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
33228-44-3
SMILES
CCCCCc1ccc(N)cc1
InChIKey
DGFTWBUZRHAHTH-UHFFFAOYSA-N
InChI
InChI=1S/C11H17N/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5,12H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Benzenamine, 4-pentyl-
  • Aniline, p-pentyl-
  • 4-Pentylbenzenamine
  • p-n-Pentylaniline
  • p-Pentylaniline
  • p-Amylaniline
  • 4-n-Pentylaniline
  • 4-Pentylphenylamine

Work with 4-Pentylaniline

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-Dodecylaniline104-42-796 % similar 4-Octylbenzenamine16245-79-796 % similar 4-Hexylaniline33228-45-496 % similar 4-Heptylaniline37529-27-496 % similar 4-Decylaniline37529-30-996 % similar 4-Butylaniline104-13-287 % similar 4-Propylaniline2696-84-671 % similar Pentylbenzene538-68-160 % similar

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

Same formula

2-Hexylpyridine1129-69-7 N,N,2,4,6-Pentamethylbenzenamine13021-15-3 N-Butylbenzylamine2403-22-7 2,6-Diethyl-4-methylbenzenamine24544-08-9 N-(1,1-Dimethylethyl)benzenemethanamine3378-72-1 4-(1,1-Dimethylethyl)benzenemethanamine39895-55-1 4-N-Butylbenzylamine57802-79-6 N,N-Diethyl-o-toluidine606-46-2

Elsewhere

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