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Molecule
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
Identifiers
CAS Registry Number
7378-99-6
SMILES
CCCCCCCCN(C)C
InChI Key
UQKAOOAFEFCDGT-UHFFFAOYSA-N
InChI
InChI=1S/C10H23N/c1-4-5-6-7-8-9-10-11(2)3/h4-10H2,1-3H3
Names and Synonyms
- Dimethyloctylamine Synonym
- 1-Octanamine, N,N-dimethyl- Synonym
- Octylamine, N,N-dimethyl- Synonym
- N,N-Dimethyl-1-octanamine Synonym
- Dimethyloctylamine Synonym
- N,N-Dimethyloctylamine Synonym
- N,N-Dimethyl-n-octylamine Synonym
- Octyldimethylamine Synonym
- N-Octyldimethylamine Synonym
- Dimethyl-n-octylamine Synonym
- Farmin DM 08P Synonym
- 1-(Dimethylamino)octane Synonym
- Adma 8 Synonym
- N-Octyl-N,N-dimethylamine Synonym
- Farmin DM 0898 Synonym
- NSC 63928 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.30 g/mol | CAS Common Chemistry |
| 157.30100000000002 g/mol | RDKit | |
| 157.301 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.7688 g/cm3 @ 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 2.908500000000002 | RDKit |
| 2.9085 | RDKit | |
| Molar Refractivity | 51.930000000000035 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 157.183049736 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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 = 157.30 g/mol; density = 0.770 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H23N.
