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Nonanedinitrile
CAS: 1675-69-0 | C9H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1675-69-0
Molecular Formula:
C9H14N2
Molecular Mass:
150.23 g/mol
Names and Synonyms:
Nonanedinitrile
Nonanedinitrile
Azelanitrile
1,7-Dicyanoheptane
NSC 18521
Identifiers:
SMILES:
N#CCCCCCCCC#N
InChI:
InChI=1S/C9H14N2/c10-8-6-4-2-1-3-5-7-9-11/h1-7H2
Key Properties
Boiling Point
183 °C @ Press: 11 Torr
CAS Common Chemistry
Melting Point
-22.01 °C
CAS Common Chemistry
Density
0.93 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 | 150.23 g/mol | CAS Common Chemistry |
| 150.22500000000002 g/mol | RDKit | |
| 150.115698448 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.929 g/cm3 @ Temp: 19 °C | CAS Common Chemistry | |
| Boiling Point | 183 °C @ Press: 11 Torr | CAS Common Chemistry |
| Canonical SMILES | N#CCCCCCCCC#N | CAS Common Chemistry |
| InChI | InChI=1S/C9H14N2/c10-8-6-4-2-1-3-5-7-9-11/h1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QXOYPGTWWXJFDI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -22.01 °C | CAS Common Chemistry |
| Name | Nonanedinitrile | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.58 Ų | RDKit |
| LogP | 2.764260000000001 | RDKit |
| Molar Refractivity | 43.545000000000016 | RDKit |
