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2-Naphthylamine
CAS: 91-59-8 | C10H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
91-59-8
Molecular Formula:
C10H9N
Molecular Weight:
143.189 g/mol
Names and Synonyms:
2-Naphthylamine
2-Naphthalenamine
2-Naphthylamine
C.I. 37270
2-Aminonaphthalene
Fast Scarlet Base B
β-Naphthylamine
Naphthalen-2-ylamine
β-Aminonaphthalene
o-Aminonaphthalene
Identifiers:
SMILES:
Nc1ccc2ccccc2c1
InChI:
InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 143.189 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 143.073499288 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.4220000000000006 | RDKit |
| wikipedia-name | 2-Naphthylamine None | Legacy Database |
| molecular_mass | 143.19 g/mol | Legacy Database |
| density | 1.06 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2-Naphthylamine None | Legacy Database |
| cas-boiling-point | 306 °C None | Legacy Database |
| cas-canonical-smile | NC=1C=CC=2C=CC=CC2C1 None | Legacy Database |
| cas-density | 1.061 g/cm3 @ Temp: 98 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2 None | Legacy Database |
| cas-inchi-key | InChIKey=JBIJLHTVPXGSAM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 111-113 °C None | Legacy Database |
| cas-name | 2-Naphthylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 48.36040000000002 | RDKit |
