Tributylamine
Properties
- Molecular formula
- C12H27N
- Molar mass
- 185.35 g/mol
- Exact mass
- 185.2143 Da
- Density
- 0.7782 g/mL (at 20 °C)
- Melting point
- −70 °C
- Boiling point
- 216.5 °C
- pKa
- 10.89
- Flash point
- 63 °C (closed cup)
- Water solubility
- 142 mg/L (25 °C)
- logP
- 3.69Crippen estimate
- Polar surface area
- 3.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 9
Hazards
Danger
- H302 Harmful if swallowed99.3% of notifiers
- H310 Fatal in contact with skin79.8% of notifiers
- H311 Toxic in contact with skin16.9% of notifiers
- H315 Causes skin irritation85.6% of notifiers
- H319 Causes serious eye irritation14.5% of notifiers
- H330 Fatal if inhaled84.2% of notifiers
- H412 Harmful to aquatic life with long lasting effects14.4% of notifiers
Aggregated from 3,068 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
102-82-9SMILES
CCCCN(CCCC)CCCCInChIKey
IMFACGCPASFAPR-UHFFFAOYSA-NInChI
InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 1-Butanamine, N,N-dibutyl-
- N,N-Dibutyl-1-butanamine
- Tri-n-butylamine
- Tris-n-butylamine
Work with Tributylamine
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
1-Butylpyrrolidine767-10-293 % similar
Tripentylamine621-77-280 % similar
Trihexylamine102-86-375 % similar
Tridodecylamine102-87-475 % similar
Trioctylamine1116-76-375 % similar
Triheptylamine2411-36-175 % similar
Butyldiethanolamine102-79-468 % similar
2-(Dibutylamino)ethanol102-81-868 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds