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1-Naphthylphthalamic Acid
CAS: 132-66-1 | C18H13NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
132-66-1
Molecular Formula:
C18H13NO3
Molecular Mass:
291.31 g/mol
Names and Synonyms:
1-Naphthylphthalamic Acid
Benzoic acid, 2-[(1-naphthalenylamino)carbonyl]-
Phthalamic acid, N-1-naphthyl-
2-[(1-Naphthalenylamino)carbonyl]benzoic acid
Alanap 1
Alanap
Alanap 10G at
Analape
Naptalam
NPA
Naphthalam
N-1-Naphthylphthalamic acid
Grelutin
N-α-Naphthylphthalamic acid
1-Naphthylphthalamic acid
2-[(1-Naphthylamino)carbonyl]benzoic acid
2-(1-Naphthylcarbamoyl)benzoic acid
NSC 204421
NPA (pesticide)
2-(N-(1-Naphthyl)amido)benzoic acid
Identifiers:
SMILES:
O=C(O)c1ccccc1C(O)=Nc1cccc2ccccc12
InChI:
InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)
Key Properties
Melting Point
203 °C
CAS Common Chemistry
Density
1.40 g/cm³
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 | 291.31 g/mol | CAS Common Chemistry |
| 291.30600000000004 g/mol | RDKit | |
| 291.08954327600003 g/mol | RDKit | |
| Density | 1.40 g/cm³ | CAS Common Chemistry |
| 1.40 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)C=1C=CC=CC1C(=O)NC2=CC=CC=3C=CC=CC32 | CAS Common Chemistry |
| InChI | InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22) | CAS Common Chemistry |
| InChI Key | InChIKey=JXTHEWSKYLZVJC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 203 °C | CAS Common Chemistry |
| Name | 1-Naphthylphthalamic acid | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 69.89 Ų | RDKit |
| LogP | 4.174300000000002 | RDKit |
| Molar Refractivity | 86.17510000000004 | RDKit |
