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N-2-Naphthalenyl-2-Naphthalenamine
CAS: 532-18-3 | C20H15N
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
532-18-3
Molecular Formula:
C20H15N
Molecular Mass:
269.35 g/mol
Names and Synonyms:
N-2-Naphthalenyl-2-Naphthalenamine
2-Naphthalenamine, N-2-naphthalenyl-
Di-2-naphthylamine
N-2-Naphthalenyl-2-naphthalenamine
β,β′-Dinaphthylamine
2,2′-Dinaphthylamine
Di-β-naphthylamine
N,N-Di(2-naphthyl)amine
NSC 26664
N,N-Bis(2-naphthyl)amine
Identifiers:
SMILES:
c1ccc2cc(Nc3ccc4ccccc4c3)ccc2c1
InChI:
InChI=1S/C20H15N/c1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20/h1-14,21H
Key Properties
Boiling Point
471 °C
CAS Common Chemistry
Melting Point
172.2 °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 | 269.35 g/mol | CAS Common Chemistry |
| 269.34700000000004 g/mol | RDKit | |
| 269.12044948 g/mol | RDKit | |
| Boiling Point | 471 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC=2C=C(C=CC2C1)NC=3C=CC=4C=CC=CC4C3 | CAS Common Chemistry |
| InChI | InChI=1S/C20H15N/c1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20/h1-14,21H | CAS Common Chemistry |
| InChI Key | InChIKey=SBMXAWJSNIAHFR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 172.2 °C | CAS Common Chemistry |
| Name | N-2-Naphthalenyl-2-naphthalenamine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 5.736600000000004 | RDKit |
| Molar Refractivity | 91.17870000000003 | RDKit |
