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Molecule
Tetradecylamine
CAS: 2016-42-4 · C14H31N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2016-42-4
- Molecular Formula
- C14H31N
- Molecular Mass
- 213.41 g/mol
Identifiers
CAS Registry Number
2016-42-4
SMILES
CCCCCCCCCCCCCCN
InChI Key
PLZVEHJLHYMBBY-UHFFFAOYSA-N
InChI
InChI=1S/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3
Names and Synonyms
- Tetradecylamine Common Name
- 1-Tetradecanamine Synonym
- Tetradecylamine Synonym
- Myristylamine Synonym
- n-Tetradecylamine Synonym
- Tetradecanamine Synonym
- 1-Aminotetradecane Synonym
- Armeen 14 Synonym
- 1-Tetradecylamine Synonym
- Monotetradecylamine Synonym
- Alamine 5D Synonym
- Farmin 40D Synonym
- Nissan Amine MB Synonym
- NSC 66437 Synonym
- Armeen 14D Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.41 g/mol | CAS Common Chemistry |
| 213.40899999999993 g/mol | RDKit | |
| 213.409 g/mol | RDKit | |
| Boiling Point | 291.2 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PLZVEHJLHYMBBY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83.1 °C | CAS Common Chemistry |
| Name | Tetradecylamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 4.646200000000003 | RDKit |
| 4.6462 | RDKit | |
| Molar Refractivity | 70.13240000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 213.24564999199998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 213.41 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H31N.
