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Molecule
N-Methyl-N-Octyl-1-Decanamine
CAS: 22020-14-0 · C19H41N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 22020-14-0
- Molecular Formula
- C19H41N
- Molecular Mass
- 283.54 g/mol
Identifiers
CAS Registry Number
22020-14-0
SMILES
CCCCCCCCCCN(C)CCCCCCCC
InChI Key
CQFRPHDWUIZNOK-UHFFFAOYSA-N
InChI
InChI=1S/C19H41N/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h4-19H2,1-3H3
Names and Synonyms
- N-Methyl-N-Octyl-1-Decanamine Common Name
- 1-Decanamine, N-methyl-N-octyl- Synonym
- Decylamine, N-methyl-N-octyl- Synonym
- N-Methyl-N-octyl-1-decanamine Synonym
- Decylmethyloctylamine Synonym
- N-Octyl-N-methyl-1-decanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 283.54 g/mol | CAS Common Chemistry |
| 283.544 g/mol | RDKit | |
| Canonical SMILES | N(C)(CCCCCCCC)CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H41N/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h4-19H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CQFRPHDWUIZNOK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methyl-N-octyl-1-decanamine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 6.4194000000000075 | RDKit |
| 6.4194 | RDKit | |
| Molar Refractivity | 93.48300000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 283.323900312 g/mol | RDKit |
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
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| 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.
