Back to Search
N-Methyloctylamine
CAS: 2439-54-5 | C9H21N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2439-54-5
Molecular Formula:
C9H21N
Molecular Mass:
143.27 g/mol
Names and Synonyms:
N-Methyloctylamine
1-Octanamine, N-methyl-
Octylamine, N-methyl-
N-Methyl-1-octanamine
Octylmethylamine
N-Methyl-n-octylamine
N-Methyloctylamine
Methyloctylamine
N-Octyl-N-methylamine
N-Methyl-N-n-octylamine
Identifiers:
SMILES:
CCCCCCCCNC
InChI:
InChI=1S/C9H21N/c1-3-4-5-6-7-8-9-10-2/h10H,3-9H2,1-2H3
Key Properties
Boiling Point
78-79 °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 | 143.27 g/mol | CAS Common Chemistry |
| 143.274 g/mol | RDKit | |
| 143.167399672 g/mol | RDKit | |
| Boiling Point | 78-79 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H21N/c1-3-4-5-6-7-8-9-10-2/h10H,3-9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SEGJNMCIMOLEDM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methyloctylamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.566300000000001 | RDKit |
| Molar Refractivity | 47.30270000000002 | RDKit |
