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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
Names and Synonyms:
Tridodecylamine
1-Dodecanamine, N,N-didodecyl-
Tridodecylamine
N,N-Didodecyl-1-dodecanamine
Alamine 304
Trilaurylamine
Adogen 360
Tri-n-dodecylamine
Alamine 304-1
Tris(dodecyl)amine
NSC 35134
Armeen 312
TDA
Hydrogen ionophore I
Identifiers:
SMILES:
CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
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
Key Properties
Boiling Point
225 °C @ Press: 0.25 Torr
CAS Common Chemistry
Melting Point
16 °C
CAS Common Chemistry
Density
0.82 g/cm³
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 | 522.00 g/mol | CAS Common Chemistry |
| 522.0030000000006 g/mol | RDKit | |
| 521.5899514 g/mol | RDKit | |
| Density | 0.82 g/cm³ | CAS Common Chemistry |
| 0.82 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 225 °C @ Press: 0.25 Torr | 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 |
| LogP | 13.051099999999977 | RDKit |
| Molar Refractivity | 171.97199999999958 | RDKit |
