Back to Search
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
Names and Synonyms:
Decanenitrile
Decanenitrile
Caprinitrile
Decanonitrile
1-Decanenitrile
n-Decanonitrile
1-Cyanononane
NSC 6085
Nonyl cyanide
Arneel 10D
Identifiers:
SMILES:
CCCCCCCCCC#N
InChI:
InChI=1S/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3
Key Properties
Boiling Point
243 °C
CAS Common Chemistry
Melting Point
-17.9 °C
CAS Common Chemistry
Density
0.83 g/cm³
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 | 153.27 g/mol | CAS Common Chemistry |
| 153.269 g/mol | RDKit | |
| 153.151749608 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.82945 g/cm3 @ Temp: 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 |
| Molar Refractivity | 48.22300000000003 | RDKit |
