Back to Search
Dioctadecylmethylamine
CAS: 4088-22-6 | C37H77N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4088-22-6
Molecular Formula:
C37H77N
Molecular Mass:
536.03 g/mol
Names and Synonyms:
Dioctadecylmethylamine
1-Octadecanamine, N-methyl-N-octadecyl-
Dioctadecylamine, N-methyl-
N-Methyl-N-octadecyl-1-octadecanamine
Distearylmethylamine
N-Methyl-N,N-dioctadecylamine
N-Methyldioctadecylamine
N,N-Dioctadecylmethylamine
Methyldistearylamine
Distearyl-N-methylamine
Methyldioctadecylamine
Dioctadecylmethylamine
Armeen M 2-18
N,N-Dioctadecyl-N-methylamine
Radiamine 6346
Methylbis(octadecyl)amine
Hydrogen ionophore III
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC
InChI:
InChI=1S/C37H77N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3
Key Properties
Boiling Point
251 °C @ Press: 0.7 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 | 536.03 g/mol | CAS Common Chemistry |
| 536.0300000000005 g/mol | RDKit | |
| 535.605601464 g/mol | RDKit | |
| Boiling Point | 251 °C @ Press: 0.7 Torr | CAS Common Chemistry |
| Canonical SMILES | N(C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C37H77N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VFLWKHBYVIUAMP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dioctadecylmethylamine | CAS Common Chemistry |
| Heavy Atom Count | 38 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 34 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 13.441199999999975 | RDKit |
| Molar Refractivity | 176.58899999999952 | RDKit |
