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Molecule
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 Mass
- 143.27 g/mol
Identifiers
CAS Registry Number
112-20-9
SMILES
CCCCCCCCCN
InChI Key
FJDUDHYHRVPMJZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3
Names and Synonyms
- Nonylamine Common Name
- 1-Nonanamine Synonym
- Nonylamine Synonym
- n-Nonylamine Synonym
- 1-Nonylamine Synonym
- 1-Aminononane Synonym
- Monononylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.27 g/mol | CAS Common Chemistry |
| 143.274 g/mol | RDKit | |
| Density | 0.79 g/cm³ | CAS Common Chemistry |
| 0.7878 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 202.2 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FJDUDHYHRVPMJZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -1 °C | CAS Common Chemistry |
| Name | Nonylamine | 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 | 26.02 Ų | RDKit |
| LogP | 2.6957000000000004 | RDKit |
| 2.6957 | RDKit | |
| Molar Refractivity | 47.04740000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 143.167399672 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 143.27 g/mol; density = 0.790 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H21N.
