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Molecule
1-Naphthaleneacetamide
CAS: 86-86-2 · C12H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 86-86-2
- Molecular Formula
- C12H11NO
- Molecular Mass
- 185.23 g/mol
Identifiers
CAS Registry Number
86-86-2
SMILES
N=C(O)Cc1cccc2ccccc12
InChI Key
XFNJVKMNNVCYEK-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)
Names and Synonyms
- 1-Naphthaleneacetamide Systematic Name
- 1-Naphthaleneacetamide Synonym
- Amid-Thin Synonym
- α-Naphthaleneacetamide Synonym
- α-Naphthylacetamide Synonym
- 1-Naphthylacetamide Synonym
- Amid-Thin W Synonym
- 2-(1-Naphthyl)acetamide Synonym
- Dirigol N Synonym
- Frufix Synonym
- NAAm Synonym
- α-NAA amide Synonym
- Rootone Synonym
- NSC 34862 Synonym
- Diramid Synonym
- 2-(Naphthalen-1-yl)acetamide Synonym
- 2-(Naphthalene-1-yl)-acetamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 185.23 g/mol | CAS Common Chemistry |
| 185.226 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Naphthaleneacetamide | CAS Common Chemistry |
| Canonical SMILES | O=C(N)CC1=CC=CC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=XFNJVKMNNVCYEK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 184 °C | CAS Common Chemistry |
| Name | 1-Naphthaleneacetamide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 2.9175700000000013 | RDKit |
| 2.9176 | RDKit | |
| Molar Refractivity | 58.00750000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0833 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 185.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 185.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H11NO.
