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Tetradecylamine
CAS: 2016-42-4 | C14H31N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2016-42-4
Molecular Formula:
C14H31N
Molecular Mass:
213.41 g/mol
Names and Synonyms:
Tetradecylamine
1-Tetradecanamine
Tetradecylamine
Myristylamine
n-Tetradecylamine
Tetradecanamine
1-Aminotetradecane
Armeen 14
1-Tetradecylamine
Monotetradecylamine
Alamine 5D
Farmin 40D
Nissan Amine MB
NSC 66437
Armeen 14D
Identifiers:
SMILES:
CCCCCCCCCCCCCCN
InChI:
InChI=1S/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3
Key Properties
Boiling Point
291.2 °C
CAS Common Chemistry
Melting Point
83.1 °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 | 213.41 g/mol | CAS Common Chemistry |
| 213.40899999999993 g/mol | RDKit | |
| 213.24564999199998 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 |
| Molar Refractivity | 70.13240000000006 | RDKit |
