Diisobutylamine
Properties
- Molecular formula
- C8H19N
- Molar mass
- 129.25 g/mol
- Exact mass
- 129.1517 Da
- Density
- 0.745 g/mL (at 20 °C)
- Melting point
- −73.5 °C
- Boiling point
- 139.6 °C
- pKa
- 10.91 (conjugate acid, 21 °C)
- Flash point
- 29 °C (closed cup)
- Water solubility
- 2.2 g/L
- logP
- 1.89Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H301+H331 Toxic if swallowed or if inhaled63.3% of notifiers
- H301 Toxic if swallowed98.8% of notifiers
- H312 Harmful in contact with skin70.5% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage66.3% of notifiers
- H331 Toxic if inhaled71.7% of notifiers
- H412 Harmful to aquatic life with long lasting effects25.3% of notifiers
Aggregated from 166 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
110-96-3SMILES
CC(C)CNCC(C)CInChIKey
NJBCRXCAPCODGX-UHFFFAOYSA-NInChI
InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 1-Propanamine, 2-methyl-N-(2-methylpropyl)-
- 2-Methyl-N-(2-methylpropyl)-1-propanamine
- N,N-Bis(2-methylpropyl)amine
- Di-iso-butylamine
Work with Diisobutylamine
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
2,6-Dimethylpiperazine108-49-644 % similar
Rel-(2R,6S)-2,6-Dimethylpiperazine21655-48-144 % similar
3,5-Dimethylpiperidine35794-11-744 % similar
Diisoamylamine544-00-344 % similar
Diisopropanolamine110-97-442 % similar
2,6-Dimethylmorpholine141-91-342 % similar
2,6-Dimethylmorpholine, (2R,6R)-171753-74-542 % similar
cis-2,6-Dimethylmorpholine6485-55-842 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds