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Molecule
1,9-Nonanediamine
CAS: 646-24-2 · C9H22N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 646-24-2
- Molecular Formula
- C9H22N2
- Molecular Mass
- 158.29 g/mol
Identifiers
CAS Registry Number
646-24-2
SMILES
NCCCCCCCCCN
InChI Key
SXJVFQLYZSNZBT-UHFFFAOYSA-N
InChI
InChI=1S/C9H22N2/c10-8-6-4-2-1-3-5-7-9-11/h1-11H2
Names and Synonyms
- 1,9-Nonanediamine Synonym
- 1,9-Nonanediamine Synonym
- Nonamethylenediamine Synonym
- 1,9-Diaminononane Synonym
- 1,9-Nonamethylenediamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.29 g/mol | CAS Common Chemistry |
| 158.289 g/mol | RDKit | |
| Canonical SMILES | NCCCCCCCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C9H22N2/c10-8-6-4-2-1-3-5-7-9-11/h1-11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SXJVFQLYZSNZBT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 35-37 °C | CAS Common Chemistry |
| Name | 1,9-Nonanediamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 1.6345 | RDKit |
| Molar Refractivity | 50.42780000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 158.17829870399999 g/mol | RDKit |
| Boiling Point | 125 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 158.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H22N2.
