chempirical

Propylaniline

C9H13NCAS 622-80-0135.21 g/mol

Open in Covalent MOL file
HN
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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

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-(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 n-Propylbenzene103-65-144 % 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 2-Propylaniline1821-39-2 (αS)-N,α-Dimethylbenzenemethanamine19131-99-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook