4-Octylbenzenamine

C₁₄H₂₃NCAS 16245-79-7205.35 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed11.4% of notifiers
H312 Harmful in contact with skin11.4% of notifiers
H315 Causes skin irritation90.9% of notifiers
H319 Causes serious eye irritation90.9% of notifiers
H335 May cause respiratory irritation88.6% of notifiers
H400 Very toxic to aquatic life88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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-Heptylaniline37529-27-4100 % 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

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