2-Ethylhexylamine
Properties
- Molecular formula
- C8H19N
- Molar mass
- 129.25 g/mol
- Exact mass
- 129.1517 Da
- Density
- 0.79 g/mL (at 20 °C)
- Melting point
- −76 °C
- Boiling point
- 169 °C
- Flash point
- 60 °C
- Water solubility
- < 1 g/L (21.1 °C)
- logP
- 2.16Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 5
Hazards
Danger
- H226 Flammable liquid and vapor99.6% of notifiers
- H302 Harmful if swallowed> 99.9% of notifiers
- H311 Toxic in contact with skin23.7% of notifiers
- H312 Harmful in contact with skin70.2% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage27.6% of notifiers
- H330 Fatal if inhaled95.8% of notifiers
- H412 Harmful to aquatic life with long lasting effects21.1% of notifiers
Aggregated from 2,941 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
104-75-6SMILES
CCCCC(CC)CNInChIKey
LTHNHFOGQMKPOV-UHFFFAOYSA-NInChI
InChI=1S/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- 1-Amino-2-ethylhexane
- β-Ethylhexylamine
- 2-Ethyl-1-hexylamine
- 2-Ethylhexanamine
- 2-Ethyl-1-aminohexane
- 1-Hexanamine, 2-ethyl-
- Hexylamine, 2-ethyl-
- 2-Ethyl-1-hexanamine
Work with 2-Ethylhexylamine
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-n-Octyl-1-dodecylamine62281-06-564 % similar
Di(2-ethylhexyl)ether10143-60-960 % similar
2-Ethyl butylamine617-79-859 % similar
2-Ethylhexanol104-76-756 % similar
Bis(2-ethylhexyl)amine106-20-756 % similar
3-(Chloromethyl)heptane123-04-656 % similar
Tris(2-ethylhexyl)amine1860-26-056 % similar
2-Ethylhexyl bromide18908-66-256 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds