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Didecylmethylamine
CAS: 7396-58-9 | C21H45N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7396-58-9
Molecular Formula:
C21H45N
Molecular Mass:
311.60 g/mol
Names and Synonyms:
Didecylmethylamine
1-Decanamine, N-decyl-N-methyl-
Didecylamine, N-methyl-
N-Decyl-N-methyl-1-decanamine
Methyldidecylamine
Didecylmethylamine
N-Methyldidecylamine
N,N-Didecyl-N-methylamine
DAMA 1010
Radiamine 6310
Armeen M 210D
N-Decyl-N-methyldecan-1-amine
N,N-Didecylmethylamine
Lipomin M 210D
Identifiers:
SMILES:
CCCCCCCCCCN(C)CCCCCCCCCC
InChI:
InChI=1S/C21H45N/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3
Key Properties
Boiling Point
139 °C @ Press: 1 Torr
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 | 311.60 g/mol | CAS Common Chemistry |
| 311.59800000000007 g/mol | RDKit | |
| 311.35520044 g/mol | RDKit | |
| Boiling Point | 139 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | N(C)(CCCCCCCCCC)CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C21H45N/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ATBNMWWDBWBAHM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Didecylmethylamine | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 7.199600000000009 | RDKit |
| Molar Refractivity | 102.7170000000001 | RDKit |
