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Dimethyloctadecylamine
CAS: 124-28-7 | C20H43N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
124-28-7
Molecular Formula:
C20H43N
Molecular Mass:
297.57 g/mol
Names and Synonyms:
Dimethyloctadecylamine
1-Octadecanamine, N,N-dimethyl-
Octadecylamine, N,N-dimethyl-
N,N-Dimethyl-1-octadecanamine
Dimantine
N,N-Dimethyl-n-octadecylamine
Dymanthine
Octadecyldimethylamine
Stearyldimethylamine
Dimethyloctadecylamine
Dimethyl-n-octadecylamine
Dimethylstearylamine
N,N-Dimethyloctadecylamine
N,N-Dimethylstearylamine
Armeen DM 18D
N,N-Dimethyloctadecanamine
Kemamine 9902D
Adogen 342D
N-Stearyl-N,N-dimethylamine
Farmin DM 80
N-Octadecyl-N,N-dimethylamine
ADMA 18
DM 18D
Farmin DM 8098
Genamin 18R302D
AT 1895A
Tertiary Nissan Amine AB
Nissan Tertiary Amine AB
N-Octadecyldimethylamine
N,N-Dimethyloctadecan-1-amine
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCCN(C)C
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
Key Properties
Boiling Point
194 °C @ Press: 6 Torr
CAS Common Chemistry
Melting Point
22.89 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.57 g/mol | CAS Common Chemistry |
| 297.5709999999999 g/mol | RDKit | |
| 297.339550376 g/mol | RDKit | |
| Boiling Point | 194 °C @ Press: 6 Torr | CAS Common Chemistry |
| 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 |
| LogP | 6.809500000000008 | RDKit |
| Molar Refractivity | 98.1000000000001 | RDKit |
