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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 Mass:
143.19 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
Key Properties
Boiling Point
306 °C
CAS Common Chemistry
Melting Point
111-113 °C
CAS Common Chemistry
Density
1.06 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 | 143.19 g/mol | CAS Common Chemistry |
| 143.189 g/mol | RDKit | |
| 143.073499288 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.061 g/cm3 @ Temp: 98 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Naphthylamine | CAS Common Chemistry |
| Boiling Point | 306 °C | CAS Common Chemistry |
| Canonical SMILES | NC=1C=CC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JBIJLHTVPXGSAM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 111-113 °C | CAS Common Chemistry |
| Name | 2-Naphthylamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.4220000000000006 | RDKit |
| Molar Refractivity | 48.36040000000002 | RDKit |
