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Molecule
2′-(Dicyclohexylphosphino)-N,N-Dimethyl[1,1′-Biphenyl]-2-Amine
CAS: 213697-53-1 · C26H36NP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 213697-53-1
- Molecular Formula
- C26H36NP
- Molecular Mass
- 393.56 g/mol
Identifiers
CAS Registry Number
213697-53-1
SMILES
CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChI Key
ZEMZPXWZVTUONV-UHFFFAOYSA-N
InChI
InChI=1S/C26H36NP/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h9-12,17-22H,3-8,13-16H2,1-2H3
Names and Synonyms
- 2′-(Dicyclohexylphosphino)-N,N-Dimethyl[1,1′-Biphenyl]-2-Amine Synonym
- [1,1′-Biphenyl]-2-amine, 2′-(dicyclohexylphosphino)-N,N-dimethyl- Synonym
- 2′-(Dicyclohexylphosphino)-N,N-dimethyl[1,1′-biphenyl]-2-amine Synonym
- 2′-(Dicyclohexylphosphino)-N,N-dimethyl-[1,1′-biphenyl]-2-amine Synonym
- 2-(N,N-Dimethylamino)-2′-(dicyclohexylphosphino)biphenyl Synonym
- 2-Dicyclohexylphosphino-2′-(N,N-dimethylamino)biphenyl Synonym
- 2-(Dicyclohexylphosphino)-2′-(dimethylamino)biphenyl Synonym
- 2-Dicyclohexylphosphino-2′-dimethylamino-1,1′-biphenyl Synonym
- DavePhos Synonym
- Dicyclohexyl[2′-(dimethylamino)biphenyl-2-yl]phosphine Synonym
- 2′-(Dicyclohexylphosphino)-N,N-dimethylbiphenyl-2-amine Synonym
- (2-Dimethylamino-1,1′-biphenyl-2-yl)dicyclohexylphosphine Synonym
- 2′-(Dicyclohexylphosphanyl)-N,N-dimethylbiphenyl-2-amine Synonym
- 2-[2-(Dicyclohexylphosphanyl)phenyl]-N,N-dimethylaniline Synonym
- 2-(2-Dicyclohexylphosphanylphenyl)-N,N-dimethylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 393.56 g/mol | CAS Common Chemistry |
| 393.55500000000035 g/mol | RDKit | |
| 393.555 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=C(C1)C=2C=CC=CC2P(C3CCCCC3)C4CCCCC4)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C26H36NP/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h9-12,17-22H,3-8,13-16H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZEMZPXWZVTUONV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 116-118 °C | CAS Common Chemistry |
| Name | 2′-(Dicyclohexylphosphino)-N,N-dimethyl[1,1′-biphenyl]-2-amine | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 7.192200000000007 | RDKit |
| 7.1922 | RDKit | |
| 7.32 | chempirical lib | |
| Molar Refractivity | 126.50500000000008 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5385 | RDKit |
| 0.54 | chempirical lib | |
| Exact Mass | 393.25853678199996 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 |
|---|
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.
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MW = 393.56 g/mol. Edit any field — others recompute live.
