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Molecule
Octadecylamine
CAS: 124-30-1 · C18H39N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 124-30-1
- Molecular Formula
- C18H39N
- Molecular Mass
- 269.52 g/mol
Identifiers
CAS Registry Number
124-30-1
SMILES
CCCCCCCCCCCCCCCCCCN
InChI Key
REYJJPSVUYRZGE-UHFFFAOYSA-N
InChI
InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3
Names and Synonyms
- Octadecylamine Common Name
- 1-Octadecanamine Synonym
- Octadecylamine Synonym
- Adogenen 142 Synonym
- Alamine 7 Synonym
- n-Octadecylamine Synonym
- Stearylamine Synonym
- n-Stearylamine Synonym
- Alamine 7D Synonym
- 1-Octadecylamine Synonym
- Kemamine P 990 Synonym
- 1-Aminooctadecane Synonym
- Armofilm Synonym
- Armeen 18D Synonym
- Nissan Amine AB Synonym
- Stearamine Synonym
- Crodamine 1.18D Synonym
- Amine AB Synonym
- Monooctadecylamine Synonym
- Farmin 80 Synonym
- Armeen 18 Synonym
- ODA Synonym
- Genamin SH 100 Synonym
- Kemamine P 990D Synonym
- Amine 18D Synonym
- Armeen 18D-FLK Synonym
- NSC 9857 Synonym
- 18D Synonym
- Lipomin 18D Synonym
- Farmin 80S Synonym
- Farmin 86V Synonym
- Farmin 80V Synonym
- Lipomin HTD Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 269.52 g/mol | CAS Common Chemistry |
| 269.5169999999999 g/mol | RDKit | |
| 269.517 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8618 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | NCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=REYJJPSVUYRZGE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52.9 °C | CAS Common Chemistry |
| Name | Octadecylamine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 6.206600000000005 | RDKit |
| 6.2066 | RDKit | |
| Molar Refractivity | 88.60040000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 269.308250248 g/mol | RDKit |
| Boiling Point | 346.8 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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Quick conversion
MW = 269.52 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H39N.
