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Molecule
Cphos
CAS: 1160556-64-8 · C28H41N2P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1160556-64-8
- Molecular Formula
- C28H41N2P
- Molecular Mass
- 436.62 g/mol
Identifiers
CAS Registry Number
1160556-64-8
SMILES
CN(C)c1cccc(N(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChI Key
DRNAQRXLOSUHBQ-UHFFFAOYSA-N
InChI
InChI=1S/C28H41N2P/c1-29(2)25-19-13-20-26(30(3)4)28(25)24-18-11-12-21-27(24)31(22-14-7-5-8-15-22)23-16-9-6-10-17-23/h11-13,18-23H,5-10,14-17H2,1-4H3
Names and Synonyms
- Cphos Common Name
- [1,1′-Biphenyl]-2,6-diamine, 2′-(dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl- Synonym
- 2′-(Dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl[1,1′-biphenyl]-2,6-diamine Synonym
- CPhos Synonym
- 2-(2-Dicyclohexylphosphanylphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine Synonym
- 2′-(Dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl-[1,1′-biphenyl]-2,6-diamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 436.62 g/mol | CAS Common Chemistry |
| 436.6240000000004 g/mol | RDKit | |
| 436.624 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/CPhos | CAS Common Chemistry |
| Canonical SMILES | C1=CC=C(C(=C1)C=2C(=CC=CC2N(C)C)N(C)C)P(C3CCCCC3)C4CCCCC4 | CAS Common Chemistry |
| InChI | InChI=1S/C28H41N2P/c1-29(2)25-19-13-20-26(30(3)4)28(25)24-18-11-12-21-27(24)31(22-14-7-5-8-15-22)23-16-9-6-10-17-23/h11-13,18-23H,5-10,14-17H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DRNAQRXLOSUHBQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 111-113 °C @ Solvent: Dichloromethane, Methanol | CAS Common Chemistry |
| Name | 2′-(Dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl[1,1′-biphenyl]-2,6-diamine | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 7.2582000000000075 | RDKit |
| 7.2582 | RDKit | |
| 7.74 | chempirical lib | |
| Molar Refractivity | 140.8319999999999 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 436.300735942 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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40
20
0 ppm
| 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 = 436.62 g/mol. Edit any field — others recompute live.
