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Molecule
Decahydroquinoline
CAS: 2051-28-7 · C9H17N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2051-28-7
- Molecular Formula
- C9H17N
- Molecular Mass
- 139.24 g/mol
Identifiers
CAS Registry Number
2051-28-7
SMILES
C1CCC2NCCCC2C1
InChI Key
POTIYWUALSJREP-UHFFFAOYSA-N
InChI
InChI=1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2
Names and Synonyms
- Decahydroquinoline Synonym
- Quinoline, decahydro- Synonym
- Decahydroquinoline Synonym
- 2-Azabicyclo[4.4.0]decane Synonym
- Perhydroquinoline Synonym
- 1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 139.24 g/mol | CAS Common Chemistry |
| 139.242 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.9147 g/cm3 @ 14 °C | CAS Common Chemistry | |
| Boiling Point | 207-210 °C | CAS Common Chemistry |
| Canonical SMILES | N1CCCC2CCCCC12 | CAS Common Chemistry |
| InChI | InChI=1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=POTIYWUALSJREP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45.5 °C | CAS Common Chemistry |
| Name | Decahydroquinoline | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.9286 | RDKit |
| Molar Refractivity | 42.98270000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 139.136099544 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 139.24 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H17N.
