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Molecule
Decanenitrile
CAS: 1975-78-6 · C10H19N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1975-78-6
- Molecular Formula
- C10H19N
- Molecular Mass
- 153.27 g/mol
Identifiers
CAS Registry Number
1975-78-6
SMILES
CCCCCCCCCC#N
InChI Key
HBZDPWBWBJMYRY-UHFFFAOYSA-N
InChI
InChI=1S/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3
Names and Synonyms
- Decanenitrile Common Name
- Decanenitrile Synonym
- Caprinitrile Synonym
- Decanonitrile Synonym
- 1-Decanenitrile Synonym
- n-Decanonitrile Synonym
- 1-Cyanononane Synonym
- NSC 6085 Synonym
- Nonyl cyanide Synonym
- Arneel 10D Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.27 g/mol | CAS Common Chemistry |
| 153.269 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.82945 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Boiling Point | 243 °C | CAS Common Chemistry |
| Canonical SMILES | N#CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HBZDPWBWBJMYRY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -17.9 °C | CAS Common Chemistry |
| Name | Decanenitrile | 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 | 23.79 Ų | RDKit |
| LogP | 3.650680000000003 | RDKit |
| 3.6507 | RDKit | |
| Molar Refractivity | 48.22300000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 153.151749608 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 153.27 g/mol; density = 0.830 g/mL. Edit any field — others recompute live.
