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Molecule
Didecylamine
CAS: 1120-49-6 · C20H43N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1120-49-6
- Molecular Formula
- C20H43N
- Molecular Mass
- 297.57 g/mol
Identifiers
CAS Registry Number
1120-49-6
SMILES
CCCCCCCCCCNCCCCCCCCCC
InChI Key
GMTCPFCMAHMEMT-UHFFFAOYSA-N
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
Names and Synonyms
- Didecylamine Synonym
- 1-Decanamine, N-decyl- Synonym
- Didecylamine Synonym
- N-Decyl-1-decanamine Synonym
- N-Decyldecanamine Synonym
- N,N-Didecylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.57 g/mol | CAS Common Chemistry |
| 297.571 g/mol | RDKit | |
| 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 |
| 6.8574 | RDKit | |
| Molar Refractivity | 98.0897000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 297.339550376 g/mol | RDKit |
| Boiling Point | 184-186 °C @ 3.0 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 297.57 g/mol. Edit any field — others recompute live.
