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Molecule
Methyloctadecylamine
CAS: 2439-55-6 · C19H41N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2439-55-6
- Molecular Formula
- C19H41N
- Molecular Mass
- 283.54 g/mol
Identifiers
CAS Registry Number
2439-55-6
SMILES
CCCCCCCCCCCCCCCCCCNC
InChI Key
SZEGKVHRCLBFKJ-UHFFFAOYSA-N
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
Names and Synonyms
- Methyloctadecylamine Synonym
- 1-Octadecanamine, N-methyl- Synonym
- Octadecylamine, N-methyl- Synonym
- N-Methyl-1-octadecanamine Synonym
- N-Methylstearylamine Synonym
- N-Methyloctadecylamine Synonym
- N-Methyl-N-octadecylamine Synonym
- N-Methyl-N-stearylamine Synonym
- Methylstearylamine Synonym
- Octadecylmethylamine Synonym
- N-Stearyl-N-methylamine Synonym
- Methyloctadecylamine Synonym
- N-Methyloctadecanamine Synonym
- NSC 66468 Synonym
- n-Octadecylmethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 283.54 g/mol | CAS Common Chemistry |
| 283.54399999999987 g/mol | RDKit | |
| 283.544 g/mol | RDKit | |
| 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 |
| 6.4673 | RDKit | |
| Molar Refractivity | 93.47270000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 283.323900312 g/mol | RDKit |
| Boiling Point | 155 °C @ 0.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 283.54 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H41N.
