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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 Weight:
153.269 g/mol
Names and Synonyms:
Decanenitrile
Arneel 10D
Nonyl cyanide
NSC 6085
1-Cyanononane
n-Decanonitrile
1-Decanenitrile
Decanonitrile
Caprinitrile
Decanenitrile
Identifiers:
SMILES:
CCCCCCCCCC#N
InChI:
InChI=1S/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 153.27 g/mol | Legacy Database |
| density | 0.83 g/cm³ | Legacy Database | |
| cas-boiling-point | 243 °C | Legacy Database | |
| cas-canonical-smile | N#CCCCCCCCCC | Legacy Database | |
| cas-density | 0.82945 g/cm3 @ Temp: 15 °C | Legacy Database | |
| cas-inchi | InChI=1S/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=HBZDPWBWBJMYRY-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -17.9 °C | Legacy Database | |
| cas-name | Decanenitrile | Legacy Database | |
| LogP | 3.650680000000003 | RDKit | |
| Molecular | Molecular Weight | 153.269 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.151749608 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 7 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 23.79 Ų | RDKit |
| Molar | Molar Refractivity | 48.22300000000003 | RDKit |
