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Molecule
(±)-1,1′-Binaphthyl-2,2′-Diamine
CAS: 4488-22-6 · C20H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4488-22-6
- Molecular Formula
- C20H16N2
- Molecular Mass
- 284.36 g/mol
Identifiers
CAS Registry Number
4488-22-6
SMILES
Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12
InChI Key
DDAPSNKEOHDLKB-UHFFFAOYSA-N
InChI
InChI=1S/C20H16N2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12H,21-22H2
Names and Synonyms
- (±)-1,1′-Binaphthyl-2,2′-Diamine Systematic Name
- [1,1′-Binaphthalene]-2,2′-diamine Synonym
- 1,1′-Bi[2-naphthylamine] Synonym
- 1,1′-Bi[2-naphthalenylamine] Synonym
- 2,2′-Diamino-1,1′-dinaphthyl Synonym
- 2,2′-Diamino-1,1′-binaphthalene Synonym
- 2,2′-Diamino-1,1′-binaphthyl Synonym
- 2,2′-Diamino-1,1′-binaphthylene Synonym
- (±)-1,1′-Binaphthyl-2,2′-diamine Synonym
- (RS)-1,1′-Binaphthalene-2,2′-diamine Synonym
- NSC 519704 Synonym
- BINAM Synonym
- 1,1′-Binaphthyl-2,2′-diamine Synonym
- rac-BINAM Synonym
- (±)-2,2′-Diamino-1,1′-binaphthyl Synonym
- (±)-2,2′-Diamino-1,1′-binaphthalene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.36 g/mol | CAS Common Chemistry |
| 284.362 g/mol | RDKit | |
| Canonical SMILES | NC=1C=CC=2C=CC=CC2C1C3=C(N)C=CC=4C=CC=CC43 | CAS Common Chemistry |
| InChI | InChI=1S/C20H16N2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12H,21-22H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DDAPSNKEOHDLKB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 189 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | (±)-1,1′-Binaphthyl-2,2′-diamine | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 4.8244000000000025 | RDKit |
| 4.8244 | RDKit | |
| Molar Refractivity | 95.7148 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 284.131348512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 284.36 g/mol. Edit any field — others recompute live.
