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Didodecylamine
CAS: 3007-31-6 | C24H51N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3007-31-6
Molecular Formula:
C24H51N
Molecular Mass:
353.68 g/mol
Names and Synonyms:
Didodecylamine
1-Dodecanamine, N-dodecyl-
Didodecylamine
N-Dodecyl-1-dodecanamine
Alamine 204
Dilaurylamine
Di-n-dodecylamine
Armeen 2-12
N,N-Didodecylamine
NSC 16573
NSC 56451
Identifiers:
SMILES:
CCCCCCCCCCCCNCCCCCCCCCCCC
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
Key Properties
Boiling Point
160-200 °C
CAS Common Chemistry
Melting Point
58 °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 | 353.68 g/mol | CAS Common Chemistry |
| 353.6790000000002 g/mol | RDKit | |
| 353.402150632 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 |
| Molar Refractivity | 116.55770000000011 | RDKit |
