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Molecule
Dioctylamine
CAS: 1120-48-5 · C16H35N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1120-48-5
- Molecular Formula
- C16H35N
- Molecular Mass
- 241.46 g/mol
Identifiers
CAS Registry Number
1120-48-5
SMILES
CCCCCCCCNCCCCCCCC
InChI Key
LAWOZCWGWDVVSG-UHFFFAOYSA-N
InChI
InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3
Names and Synonyms
- Dioctylamine Synonym
- 1-Octanamine, N-octyl- Synonym
- Dioctylamine Synonym
- N-Octyl-1-octanamine Synonym
- RC 5632 Synonym
- Di-n-Octylamine Synonym
- N-n-Octyl-n-octylamine Synonym
- NSC 1765 Synonym
- N,N-Dioctylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.46 g/mol | CAS Common Chemistry |
| 241.4629999999999 g/mol | RDKit | |
| 241.463 g/mol | RDKit | |
| Density | 0.80 g/cm³ | CAS Common Chemistry |
| 0.7985 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 297.5 °C | CAS Common Chemistry |
| Canonical SMILES | N(CCCCCCCC)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LAWOZCWGWDVVSG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 35.5 °C | CAS Common Chemistry |
| Name | Dioctylamine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 5.297000000000005 | RDKit |
| 5.297 | RDKit | |
| Molar Refractivity | 79.62170000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 241.27695012 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
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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Quick conversion
MW = 241.46 g/mol; density = 0.800 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H35N.
