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(±)-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
Names and Synonyms:
(±)-1,1′-Binaphthyl-2,2′-Diamine
[1,1′-Binaphthalene]-2,2′-diamine
1,1′-Bi[2-naphthylamine]
1,1′-Bi[2-naphthalenylamine]
2,2′-Diamino-1,1′-dinaphthyl
2,2′-Diamino-1,1′-binaphthalene
2,2′-Diamino-1,1′-binaphthyl
2,2′-Diamino-1,1′-binaphthylene
(±)-1,1′-Binaphthyl-2,2′-diamine
(RS)-1,1′-Binaphthalene-2,2′-diamine
NSC 519704
BINAM
1,1′-Binaphthyl-2,2′-diamine
rac-BINAM
(±)-2,2′-Diamino-1,1′-binaphthyl
(±)-2,2′-Diamino-1,1′-binaphthalene
Identifiers:
SMILES:
Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12
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
Key Properties
Melting Point
189 °C @ Solvent: Ethanol
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 | 284.36 g/mol | CAS Common Chemistry |
| 284.362 g/mol | RDKit | |
| 284.131348512 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 |
| Molar Refractivity | 95.7148 | RDKit |
