Back to Search
Methyloctadecylamine
CAS: 2439-55-6 | C19H41N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2439-55-6
Molecular Formula:
C19H41N
Molecular Mass:
283.54 g/mol
Names and Synonyms:
Methyloctadecylamine
1-Octadecanamine, N-methyl-
Octadecylamine, N-methyl-
N-Methyl-1-octadecanamine
N-Methylstearylamine
N-Methyloctadecylamine
N-Methyl-N-octadecylamine
N-Methyl-N-stearylamine
Methylstearylamine
Octadecylmethylamine
N-Stearyl-N-methylamine
Methyloctadecylamine
N-Methyloctadecanamine
NSC 66468
n-Octadecylmethylamine
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCCNC
InChI:
InChI=1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h20H,3-19H2,1-2H3
Key Properties
Boiling Point
155 °C @ Press: 0.5 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 | 283.54 g/mol | CAS Common Chemistry |
| 283.54399999999987 g/mol | RDKit | |
| 283.323900312 g/mol | RDKit | |
| Boiling Point | 155 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | N(C)CCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h20H,3-19H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SZEGKVHRCLBFKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methyloctadecylamine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 6.467300000000006 | RDKit |
| Molar Refractivity | 93.47270000000009 | RDKit |
