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Molecule
Trioctylamine
CAS: 1116-76-3 · C24H51N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1116-76-3
- Molecular Formula
- C24H51N
- Molecular Mass
- 353.68 g/mol
Identifiers
CAS Registry Number
1116-76-3
SMILES
CCCCCCCCN(CCCCCCCC)CCCCCCCC
InChI Key
XTAZYLNFDRKIHJ-UHFFFAOYSA-N
InChI
InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
Names and Synonyms
- Trioctylamine Common Name
- 1-Octanamine, N,N-dioctyl- Synonym
- Trioctylamine Synonym
- N,N-Dioctyl-1-octanamine Synonym
- Tricaprylylamine Synonym
- Tri-n-octylamine Synonym
- Tri-n-caprylylamine Synonym
- Farmin 08 Synonym
- TOA Synonym
- TOA (amine) Synonym
- Farmin T 08 Synonym
- NSC 11034 Synonym
- N,N,N-Trioctylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 353.68 g/mol | CAS Common Chemistry |
| 353.6790000000002 g/mol | RDKit | |
| 353.679 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.80746 g/cm3 @ 25.00 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trioctylamine | CAS Common Chemistry |
| Boiling Point | 366 °C | CAS Common Chemistry |
| Canonical SMILES | N(CCCCCCCC)(CCCCCCCC)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XTAZYLNFDRKIHJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -34.6 °C | CAS Common Chemistry |
| Name | Trioctylamine | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 8.369900000000007 | RDKit |
| 8.3699 | RDKit | |
| Molar Refractivity | 116.56800000000011 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 353.402150632 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 353.68 g/mol; density = 0.810 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C24H51N.
