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Nonylamine
CAS: 112-20-9 | C9H21N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-20-9
Molecular Formula:
C9H21N
Molecular Weight:
143.274 g/mol
Names and Synonyms:
Nonylamine
Monononylamine
1-Aminononane
1-Nonylamine
n-Nonylamine
Nonylamine
1-Nonanamine
Identifiers:
SMILES:
CCCCCCCCCN
InChI:
InChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 143.274 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 143.167399672 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.6957000000000004 | RDKit |
| molecular_mass | 143.27 g/mol | Legacy Database |
| density | 0.79 g/cm³ | Legacy Database |
| cas-boiling-point | 202.2 °C None | Legacy Database |
| cas-canonical-smile | NCCCCCCCCC None | Legacy Database |
| cas-density | 0.7878 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FJDUDHYHRVPMJZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -1 °C None | Legacy Database |
| cas-name | Nonylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 47.04740000000002 | RDKit |
