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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
Names and Synonyms:
1-Naphthaleneacetamide
1-Naphthaleneacetamide
Amid-Thin
α-Naphthaleneacetamide
α-Naphthylacetamide
1-Naphthylacetamide
Amid-Thin W
2-(1-Naphthyl)acetamide
Dirigol N
Frufix
NAAm
α-NAA amide
Rootone
NSC 34862
Diramid
2-(Naphthalen-1-yl)acetamide
2-(Naphthalene-1-yl)-acetamide
Identifiers:
SMILES:
N=C(O)Cc1cccc2ccccc12
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)
Key Properties
Melting Point
184 °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 | |
| 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 |
| Molar Refractivity | 58.00750000000003 | RDKit |
