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Dimethyloctylamine
CAS: 7378-99-6 | C10H23N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7378-99-6
Molecular Formula:
C10H23N
Molecular Mass:
157.30 g/mol
Names and Synonyms:
Dimethyloctylamine
1-Octanamine, N,N-dimethyl-
Octylamine, N,N-dimethyl-
N,N-Dimethyl-1-octanamine
Dimethyloctylamine
N,N-Dimethyloctylamine
N,N-Dimethyl-n-octylamine
Octyldimethylamine
N-Octyldimethylamine
Dimethyl-n-octylamine
Farmin DM 08P
1-(Dimethylamino)octane
Adma 8
N-Octyl-N,N-dimethylamine
Farmin DM 0898
NSC 63928
Identifiers:
SMILES:
CCCCCCCCN(C)C
InChI:
InChI=1S/C10H23N/c1-4-5-6-7-8-9-10-11(2)3/h4-10H2,1-3H3
Key Properties
Boiling Point
194 °C
CAS Common Chemistry
Density
0.77 g/cm³
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 | 157.30 g/mol | CAS Common Chemistry |
| 157.30100000000002 g/mol | RDKit | |
| 157.183049736 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.7688 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 194 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(C)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H23N/c1-4-5-6-7-8-9-10-11(2)3/h4-10H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UQKAOOAFEFCDGT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dimethyloctylamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 2.908500000000002 | RDKit |
| Molar Refractivity | 51.930000000000035 | RDKit |
