4-Propylaniline
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
Hazards
Warning
- H302 Harmful if swallowed13.3% of notifiers
- H312 Harmful in contact with skin13.3% of notifiers
- H315 Causes skin irritation91.1% of notifiers
- H319 Causes serious eye irritation91.1% of notifiers
- H332 Harmful if inhaled13.3% of notifiers
- H335 May cause respiratory irritation88.9% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2696-84-6SMILES
CCCc1ccc(N)cc1InChIKey
OAPDPORYXWQVJE-UHFFFAOYSA-NInChI
InChI=1S/C9H13N/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3,10H2,1H3Weigh 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-Heptylaniline37529-27-468 % similar
4-Decylaniline37529-30-968 % similar
4,4′-Ethylenedianiline621-95-465 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.