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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
Names and Synonyms:
N-(7-Hydroxy-1-Naphthalenyl)Acetamide
Acetamide, N-(7-hydroxy-1-naphthalenyl)-
Acetamide, N-(7-hydroxy-1-naphthyl)-
N-(7-Hydroxy-1-naphthalenyl)acetamide
1-Acetamido-7-naphthol
1-Acetylamino-7-naphthol
1-Acetamido-7-hydroxynaphthalene
1-Acetylamino-7-hydroxynaphthalene
N-(7-Hydroxy-1-naphthyl)acetamide
NSC 7566
N-(7-Hydroxynaphthalene-1-yl)-acetamide
Identifiers:
SMILES:
CC(O)=Nc1cccc2ccc(O)cc12
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)
Key Properties
Boiling Point
170-172 °C @ Press: 16 Torr
CAS Common Chemistry
Melting Point
168-169 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.23 g/mol | CAS Common Chemistry |
| 201.225 g/mol | RDKit | |
| 201.078978592 g/mol | RDKit | |
| Boiling Point | 170-172 °C @ Press: 16 Torr | CAS Common Chemistry |
| 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 |
| LogP | 3.1533000000000007 | RDKit |
| Molar Refractivity | 61.010600000000025 | RDKit |
