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Molecule
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
Identifiers
CAS Registry Number
4088-22-6
SMILES
CCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC
InChI Key
VFLWKHBYVIUAMP-UHFFFAOYSA-N
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
Names and Synonyms
- Dioctadecylmethylamine Common Name
- 1-Octadecanamine, N-methyl-N-octadecyl- Synonym
- Dioctadecylamine, N-methyl- Synonym
- N-Methyl-N-octadecyl-1-octadecanamine Synonym
- Distearylmethylamine Synonym
- N-Methyl-N,N-dioctadecylamine Synonym
- N-Methyldioctadecylamine Synonym
- N,N-Dioctadecylmethylamine Synonym
- Methyldistearylamine Synonym
- Distearyl-N-methylamine Synonym
- Methyldioctadecylamine Synonym
- Dioctadecylmethylamine Synonym
- Armeen M 2-18 Synonym
- N,N-Dioctadecyl-N-methylamine Synonym
- Radiamine 6346 Synonym
- Methylbis(octadecyl)amine Synonym
- Hydrogen ionophore III Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 536.03 g/mol | CAS Common Chemistry |
| 536.0300000000005 g/mol | RDKit | |
| 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 13.441199999999975 | RDKit |
| 13.4412 | RDKit | |
| 14.32 | chempirical lib | |
| Molar Refractivity | 176.58899999999952 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 535.605601464 g/mol | RDKit |
| Boiling Point | 251 °C @ 0.7 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 536.03 g/mol. Edit any field — others recompute live.
