2-Propylaniline
Properties
- Molecular formula
- C9H13N
- Molar mass
- 135.21 g/mol
- Exact mass
- 135.1048 Da
- Boiling point
- 226 °C
- logP
- 2.22Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 41 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
1821-39-2SMILES
CCCc1ccccc1NInChIKey
WKURVXXDGMYSDP-UHFFFAOYSA-NInChI
InChI=1S/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzenamine, 2-propyl-
- Aniline, o-propyl-
- 2-Propylbenzenamine
- o-Propylaniline
- o-Aminopropylbenzene
- 2-(n-Propyl)aniline
- (2-Propylphenyl)amine
Work with 2-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
2-Ethylaniline578-54-162 % similar
2-Aminobenzeneethanol5339-85-557 % similar
2-(Aminomethyl)aniline4403-69-452 % similar
2-Propylphenol644-35-952 % similar
2-Aminobenzyl alcohol5344-90-150 % similar
2-Benzylaniline28059-64-548 % similar
Phenylglycine nitrile2973-50-447 % similar
Dipentylbenzene635-89-246 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds