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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 Weight:
150.22500000000002 g/mol
Names and Synonyms:
Nonanedinitrile
NSC 18521
1,7-Dicyanoheptane
Azelanitrile
Nonanedinitrile
Identifiers:
SMILES:
N#CCCCCCCCC#N
InChI:
InChI=1S/C9H14N2/c10-8-6-4-2-1-3-5-7-9-11/h1-7H2
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 |
|---|---|---|---|
| Molecular | Molecular Weight | 150.22500000000002 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.115698448 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 6 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 47.58 Ų | RDKit |
| Physical Properties | LogP | 2.764260000000001 | RDKit |
| molecular_mass | 150.23 g/mol | Legacy Database | |
| density | 0.93 g/cm³ | Legacy Database | |
| cas-boiling-point | 183 °C @ Press: 11 Torr | Legacy Database | |
| cas-canonical-smile | N#CCCCCCCCC#N | Legacy Database | |
| cas-density | 0.929 g/cm3 @ Temp: 19 °C | Legacy Database | |
| cas-inchi | InChI=1S/C9H14N2/c10-8-6-4-2-1-3-5-7-9-11/h1-7H2 | Legacy Database | |
| cas-inchi-key | InChIKey=QXOYPGTWWXJFDI-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -22.01 °C | Legacy Database | |
| cas-name | Nonanedinitrile | Legacy Database | |
| Molar | Molar Refractivity | 43.545000000000016 | RDKit |
