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Ditetradecylamine
CAS: 17361-44-3 | C28H59N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17361-44-3
Molecular Formula:
C28H59N
Molecular Mass:
409.79 g/mol
Names and Synonyms:
Ditetradecylamine
1-Tetradecanamine, N-tetradecyl-
Ditetradecylamine
N-Tetradecyl-1-tetradecanamine
Alamine 205
Dimyristylamine
N,N-Ditetradecylamine
NSC 91530
Di-n-tetradecylamine
Identifiers:
SMILES:
CCCCCCCCCCCCCCNCCCCCCCCCCCCCC
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
Key Properties
Melting Point
56-58 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 409.79 g/mol | CAS Common Chemistry |
| 409.7870000000004 g/mol | RDKit | |
| 409.46475088799997 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 |
| Molar Refractivity | 135.02570000000003 | RDKit |
