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Molecule
Dimethyloctadecylamine
CAS: 124-28-7 · C20H43N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 124-28-7
- Molecular Formula
- C20H43N
- Molecular Mass
- 297.57 g/mol
Identifiers
CAS Registry Number
124-28-7
SMILES
CCCCCCCCCCCCCCCCCCN(C)C
InChI Key
NAPSCFZYZVSQHF-UHFFFAOYSA-N
InChI
InChI=1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h4-20H2,1-3H3
Names and Synonyms
- Dimethyloctadecylamine Common Name
- 1-Octadecanamine, N,N-dimethyl- Synonym
- Octadecylamine, N,N-dimethyl- Synonym
- N,N-Dimethyl-1-octadecanamine Synonym
- Dimantine Synonym
- N,N-Dimethyl-n-octadecylamine Synonym
- Dymanthine Synonym
- Octadecyldimethylamine Synonym
- Stearyldimethylamine Synonym
- Dimethyloctadecylamine Synonym
- Dimethyl-n-octadecylamine Synonym
- Dimethylstearylamine Synonym
- N,N-Dimethyloctadecylamine Synonym
- N,N-Dimethylstearylamine Synonym
- Armeen DM 18D Synonym
- N,N-Dimethyloctadecanamine Synonym
- Kemamine 9902D Synonym
- Adogen 342D Synonym
- N-Stearyl-N,N-dimethylamine Synonym
- Farmin DM 80 Synonym
- N-Octadecyl-N,N-dimethylamine Synonym
- ADMA 18 Synonym
- DM 18D Synonym
- Farmin DM 8098 Synonym
- Genamin 18R302D Synonym
- AT 1895A Synonym
- Tertiary Nissan Amine AB Synonym
- Nissan Tertiary Amine AB Synonym
- N-Octadecyldimethylamine Synonym
- N,N-Dimethyloctadecan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.57 g/mol | CAS Common Chemistry |
| 297.5709999999999 g/mol | RDKit | |
| 297.571 g/mol | RDKit | |
| Canonical SMILES | N(C)(C)CCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h4-20H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NAPSCFZYZVSQHF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 22.89 °C | CAS Common Chemistry |
| Name | Dimethyloctadecylamine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 6.809500000000008 | RDKit |
| 6.8095 | RDKit | |
| Molar Refractivity | 98.1000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 297.339550376 g/mol | RDKit |
| Boiling Point | 194 °C @ 6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
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MW = 297.57 g/mol. Edit any field — others recompute live.
