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Didecylamine
CAS: 1120-49-6 | C20H43N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1120-49-6
Molecular Formula:
C20H43N
Molecular Mass:
297.57 g/mol
Names and Synonyms:
Didecylamine
1-Decanamine, N-decyl-
Didecylamine
N-Decyl-1-decanamine
N-Decyldecanamine
N,N-Didecylamine
Identifiers:
SMILES:
CCCCCCCCCCNCCCCCCCCCC
InChI:
InChI=1S/C20H43N/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3
Key Properties
Boiling Point
184-186 °C @ Press: 3.0 Torr
CAS Common Chemistry
Melting Point
47.5 °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 | 297.57 g/mol | CAS Common Chemistry |
| 297.571 g/mol | RDKit | |
| 297.339550376 g/mol | RDKit | |
| Boiling Point | 184-186 °C @ Press: 3.0 Torr | CAS Common Chemistry |
| Canonical SMILES | N(CCCCCCCCCC)CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H43N/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GMTCPFCMAHMEMT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 47.5 °C | CAS Common Chemistry |
| Name | Didecylamine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 6.857400000000008 | RDKit |
| Molar Refractivity | 98.0897000000001 | RDKit |
