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Molecule
Ditetradecylamine
CAS: 17361-44-3 · C28H59N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17361-44-3
- Molecular Formula
- C28H59N
- Molecular Mass
- 409.79 g/mol
Identifiers
CAS Registry Number
17361-44-3
SMILES
CCCCCCCCCCCCCCNCCCCCCCCCCCCCC
InChI Key
HSUGDXPUFCVGES-UHFFFAOYSA-N
InChI
InChI=1S/C28H59N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3
Names and Synonyms
- Ditetradecylamine Synonym
- 1-Tetradecanamine, N-tetradecyl- Synonym
- Ditetradecylamine Synonym
- N-Tetradecyl-1-tetradecanamine Synonym
- Alamine 205 Synonym
- Dimyristylamine Synonym
- N,N-Ditetradecylamine Synonym
- NSC 91530 Synonym
- Di-n-tetradecylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 409.79 g/mol | CAS Common Chemistry |
| 409.7870000000004 g/mol | RDKit | |
| 409.787 g/mol | RDKit | |
| Canonical SMILES | N(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C28H59N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HSUGDXPUFCVGES-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 56-58 °C | CAS Common Chemistry |
| Name | Ditetradecylamine | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 26 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 9.978199999999996 | RDKit |
| 9.9782 | RDKit | |
| 10.81 | chempirical lib | |
| Molar Refractivity | 135.02570000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 409.46475088799997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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 = 409.79 g/mol. Edit any field — others recompute live.
