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Molecule
Tridodecylamine
CAS: 102-87-4 · C36H75N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 102-87-4
- Molecular Formula
- C36H75N
- Molecular Mass
- 522.00 g/mol
Identifiers
CAS Registry Number
102-87-4
SMILES
CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
InChI Key
SWZDQOUHBYYPJD-UHFFFAOYSA-N
InChI
InChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
Names and Synonyms
- Tridodecylamine Common Name
- 1-Dodecanamine, N,N-didodecyl- Synonym
- Tridodecylamine Synonym
- N,N-Didodecyl-1-dodecanamine Synonym
- Alamine 304 Synonym
- Trilaurylamine Synonym
- Adogen 360 Synonym
- Tri-n-dodecylamine Synonym
- Alamine 304-1 Synonym
- Tris(dodecyl)amine Synonym
- NSC 35134 Synonym
- Armeen 312 Synonym
- TDA Synonym
- Hydrogen ionophore I Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 522.00 g/mol | CAS Common Chemistry |
| 522.0030000000006 g/mol | RDKit | |
| 522.003 g/mol | RDKit | |
| Density | 0.82 g/cm³ | CAS Common Chemistry |
| 0.82 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | N(CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SWZDQOUHBYYPJD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 16 °C | CAS Common Chemistry |
| Name | Tridodecylamine | CAS Common Chemistry |
| Heavy Atom Count | 37 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 33 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 13.051099999999977 | RDKit |
| 13.0511 | RDKit | |
| 13.93 | chempirical lib | |
| Molar Refractivity | 171.97199999999958 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 521.5899514 g/mol | RDKit |
| Boiling Point | 225 °C @ 0.25 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 522.00 g/mol; density = 0.820 g/mL. Edit any field — others recompute live.
