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Molecule
N-1-Naphthylacetamide
CAS: 575-36-0 · C12H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 575-36-0
- Molecular Formula
- C12H11NO
- Molecular Mass
- 185.23 g/mol
Identifiers
CAS Registry Number
575-36-0
SMILES
CC(O)=Nc1cccc2ccccc12
InChI Key
OKQIEBVRUGLWOR-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,13,14)
Names and Synonyms
- N-1-Naphthylacetamide Common Name
- Acetamide, N-1-naphthalenyl- Synonym
- Acetamide, N-1-naphthyl- Synonym
- N-1-Naphthalenylacetamide Synonym
- N-1-Naphthylacetamide Synonym
- N-Acetyl-1-naphthylamine Synonym
- 1-Acetamidonaphthalene Synonym
- N-α-Naphthylacetamide Synonym
- N-Acetyl-α-naphthylamine Synonym
- 1-(Acetylamino)naphthalene Synonym
- NSC 3105 Synonym
- N-Acetyl-1-naphthalenamine 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 | |
| Canonical SMILES | O=C(NC1=CC=CC=2C=CC=CC21)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H11NO/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=OKQIEBVRUGLWOR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 242 °C | CAS Common Chemistry |
| Name | N-1-Naphthylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 3.447700000000002 | RDKit |
| 3.4477 | RDKit | |
| Molar Refractivity | 59.34580000000003 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...
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200 ppm
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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.
