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Molecule
N-(7-Hydroxy-1-Naphthalenyl)Acetamide
CAS: 6470-18-4 · C12H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6470-18-4
- Molecular Formula
- C12H11NO2
- Molecular Mass
- 201.23 g/mol
Identifiers
CAS Registry Number
6470-18-4
SMILES
CC(O)=Nc1cccc2ccc(O)cc12
InChI Key
ALNWQAFPXMGLTJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO2/c1-8(14)13-12-4-2-3-9-5-6-10(15)7-11(9)12/h2-7,15H,1H3,(H,13,14)
Names and Synonyms
- N-(7-Hydroxy-1-Naphthalenyl)Acetamide Synonym
- Acetamide, N-(7-hydroxy-1-naphthalenyl)- Synonym
- Acetamide, N-(7-hydroxy-1-naphthyl)- Synonym
- N-(7-Hydroxy-1-naphthalenyl)acetamide Synonym
- 1-Acetamido-7-naphthol Synonym
- 1-Acetylamino-7-naphthol Synonym
- 1-Acetamido-7-hydroxynaphthalene Synonym
- 1-Acetylamino-7-hydroxynaphthalene Synonym
- N-(7-Hydroxy-1-naphthyl)acetamide Synonym
- NSC 7566 Synonym
- N-(7-Hydroxynaphthalene-1-yl)-acetamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.23 g/mol | CAS Common Chemistry |
| 201.225 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=CC2=CC=C(O)C=C21)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H11NO2/c1-8(14)13-12-4-2-3-9-5-6-10(15)7-11(9)12/h2-7,15H,1H3,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=ALNWQAFPXMGLTJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168-169 °C | CAS Common Chemistry |
| Name | N-(7-Hydroxy-1-naphthalenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | 3.1533000000000007 | RDKit |
| 3.1533 | RDKit | |
| Molar Refractivity | 61.010600000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0833 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 201.078978592 g/mol | RDKit |
| Boiling Point | 170-172 °C @ 16 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 201.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H11NO2.
