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Molecule
Octahydro-2H-Azonin-2-One
CAS: 935-30-8 · C8H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 935-30-8
- Molecular Formula
- C8H15NO
- Molecular Mass
- 141.21 g/mol
Identifiers
CAS Registry Number
935-30-8
SMILES
OC1=NCCCCCCC1
InChI Key
YDLSUFFXJYEVHW-UHFFFAOYSA-N
InChI
InChI=1S/C8H15NO/c10-8-6-4-2-1-3-5-7-9-8/h1-7H2,(H,9,10)
Names and Synonyms
- Octahydro-2H-Azonin-2-One Synonym
- Octanoic acid, 8-amino-, lactam Synonym
- η-Capryllactam Synonym
- Capryllactam Synonym
- Caprylolactam Synonym
- 8-Aminooctanoic acid lactam Synonym
- 2-Perhydroazoninone Synonym
- 8-Octanelactam Synonym
- 1-Aza-2-cyclononanone Synonym
- 2-Oxooctamethyleneimine Synonym
- NSC 59017 Synonym
- Azonan-2-one Synonym
- ω-Octalactam Synonym
- 2H-Azonin-2-one, octahydro- Synonym
- Octahydro-2H-azonin-2-one Synonym
- Azacyclononan-2-one Synonym
- ω-Caprylolactam Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.21 g/mol | CAS Common Chemistry |
| 141.214 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.0087 g/cm3 @ 73 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C1NCCCCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H15NO/c10-8-6-4-2-1-3-5-7-9-8/h1-7H2,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=YDLSUFFXJYEVHW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 77-79 °C | CAS Common Chemistry |
| Name | Octahydro-2H-azonin-2-one | 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 | 32.59 Ų | RDKit |
| LogP | 2.2971000000000004 | RDKit |
| 2.2971 | RDKit | |
| 2.17 | chempirical lib | |
| Molar Refractivity | 42.63280000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 141.1153641 g/mol | RDKit |
| Boiling Point | 164-166 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 141.21 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H15NO.
