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Molecule
N-2-Naphthalenyl-2-Naphthalenamine
CAS: 532-18-3 · C20H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 532-18-3
- Molecular Formula
- C20H15N
- Molecular Mass
- 269.35 g/mol
Identifiers
CAS Registry Number
532-18-3
SMILES
c1ccc2cc(Nc3ccc4ccccc4c3)ccc2c1
InChI Key
SBMXAWJSNIAHFR-UHFFFAOYSA-N
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
Names and Synonyms
- N-2-Naphthalenyl-2-Naphthalenamine Synonym
- 2-Naphthalenamine, N-2-naphthalenyl- Synonym
- Di-2-naphthylamine Synonym
- N-2-Naphthalenyl-2-naphthalenamine Synonym
- β,β′-Dinaphthylamine Synonym
- 2,2′-Dinaphthylamine Synonym
- Di-β-naphthylamine Synonym
- N,N-Di(2-naphthyl)amine Synonym
- NSC 26664 Synonym
- N,N-Bis(2-naphthyl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 269.35 g/mol | CAS Common Chemistry |
| 269.34700000000004 g/mol | RDKit | |
| 269.347 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 |
| 5.7366 | RDKit | |
| Molar Refractivity | 91.17870000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 269.12044948 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 269.35 g/mol. Edit any field — others recompute live.
