Propylaniline

C₉H₁₃NCAS 622-80-0135.21 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₉H₁₃N
Molar mass: 135.21 g/mol
Exact mass: 135.1048 Da
Density: 0.9404 g/mL (at 20 °C)
Melting point: 76 °C
Boiling point: 222 °C
logP: 2.51Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H370 Causes damage to organs100% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure100% of notifiers

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

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

622-80-0

SMILES

CCCNc1ccccc1

InChIKey

CDZOGLJOFWFVOZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3

Weigh it out

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

Names and synonyms

5 names

Benzenamine, N-propyl-
Aniline, N-propyl-
N-Propylbenzenamine
N-Propylaniline
N-(n-Propyl)aniline

Work with 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

N-Butylaniline1126-78-975 % similar N,N'-Diphenylethylenediamine150-61-867 % similar N-Ethylaniline103-69-558 % similar N-(2-Hydroxyethyl)aniline122-98-556 % similar N-Phenylethylenediamine1664-40-054 % similar 3-(Phenylamino)propanenitrile1075-76-950 % similar Benzylaniline103-32-246 % similar N-Phenyl-3-aminopropyltrimethoxysilane3068-76-645 % 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 (2S)-2-Phenylpropan-1-amine17596-79-1 2-Propylaniline1821-39-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook