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N-1-Naphthylacetamide
CAS: 575-36-0 | C12H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
575-36-0
Molecular Formula:
C12H11NO
Molecular Mass:
185.23 g/mol
Names and Synonyms:
N-1-Naphthylacetamide
Acetamide, N-1-naphthalenyl-
Acetamide, N-1-naphthyl-
N-1-Naphthalenylacetamide
N-1-Naphthylacetamide
N-Acetyl-1-naphthylamine
1-Acetamidonaphthalene
N-α-Naphthylacetamide
N-Acetyl-α-naphthylamine
1-(Acetylamino)naphthalene
NSC 3105
N-Acetyl-1-naphthalenamine
Identifiers:
SMILES:
CC(O)=Nc1cccc2ccccc12
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)
Key Properties
Melting Point
242 °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 | 185.23 g/mol | CAS Common Chemistry |
| 185.226 g/mol | RDKit | |
| 185.084063972 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 |
| Molar Refractivity | 59.34580000000003 | RDKit |
