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Molecule
(-)-2′-Amino-1,1′-Binaphthalen-2-Ol
CAS: 137848-29-4 · C20H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 137848-29-4
- Molecular Formula
- C20H15NO
- Molecular Mass
- 285.35 g/mol
Identifiers
CAS Registry Number
137848-29-4
SMILES
Nc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChI Key
HIXQCPGXQVQHJP-UHFFFAOYSA-N
InChI
InChI=1S/C20H15NO/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/h1-12,22H,21H2
Names and Synonyms
- (-)-2′-Amino-1,1′-Binaphthalen-2-Ol Synonym
- [1,1′-Binaphthalen]-2-ol, 2′-amino-, (1S)- Synonym
- [1,1′-Binaphthalen]-2-ol, 2′-amino-, (S)- Synonym
- (1S)-2′-Amino[1,1′-binaphthalen]-2-ol Synonym
- (S)-NOBIN Synonym
- (S)-2-Amino-2′-hydroxy-1,1′-binaphthyl Synonym
- (S)-2′-Amino-1,1′-binaphthalen-2-ol Synonym
- (-)-2′-Amino-1,1′-binaphthalen-2-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 285.35 g/mol | CAS Common Chemistry |
| 285.346 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=2C=CC=CC2C1C3=C(N)C=CC=4C=CC=CC43 | CAS Common Chemistry |
| InChI | InChI=1S/C20H15NO/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/h1-12,22H,21H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HIXQCPGXQVQHJP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 169-171 °C | CAS Common Chemistry |
| Name | (-)-2′-Amino-1,1′-binaphthalen-2-ol | 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 | 46.25 Ų | RDKit |
| LogP | 4.9478000000000035 | RDKit |
| 4.9478 | RDKit | |
| Molar Refractivity | 92.96720000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 285.1153641 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 = 285.35 g/mol. Edit any field — others recompute live.
