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Molecule
Didodecylamine
CAS: 3007-31-6 · C24H51N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3007-31-6
- Molecular Formula
- C24H51N
- Molecular Mass
- 353.68 g/mol
Identifiers
CAS Registry Number
3007-31-6
SMILES
CCCCCCCCCCCCNCCCCCCCCCCCC
InChI Key
MJCJUDJQDGGKOX-UHFFFAOYSA-N
InChI
InChI=1S/C24H51N/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3
Names and Synonyms
- Didodecylamine Synonym
- 1-Dodecanamine, N-dodecyl- Synonym
- Didodecylamine Synonym
- N-Dodecyl-1-dodecanamine Synonym
- Alamine 204 Synonym
- Dilaurylamine Synonym
- Di-n-dodecylamine Synonym
- Armeen 2-12 Synonym
- N,N-Didodecylamine Synonym
- NSC 16573 Synonym
- NSC 56451 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 353.68 g/mol | CAS Common Chemistry |
| 353.6790000000002 g/mol | RDKit | |
| 353.679 g/mol | RDKit | |
| Boiling Point | 160-200 °C | CAS Common Chemistry |
| Canonical SMILES | N(CCCCCCCCCCCC)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H51N/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MJCJUDJQDGGKOX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 58 °C | CAS Common Chemistry |
| Name | Didodecylamine | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 22 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 8.417800000000007 | RDKit |
| 8.4178 | RDKit | |
| 9.25 | chempirical lib | |
| Molar Refractivity | 116.55770000000011 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 353.402150632 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 353.68 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C24H51N.
