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2′-(Dicyclohexylphosphino)-N,N-Dimethyl[1,1′-Biphenyl]-2-Amine
CAS: 213697-53-1 | C26H36NP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
213697-53-1
Molecular Formula:
C26H36NP
Molecular Mass:
393.56 g/mol
Names and Synonyms:
2′-(Dicyclohexylphosphino)-N,N-Dimethyl[1,1′-Biphenyl]-2-Amine
[1,1′-Biphenyl]-2-amine, 2′-(dicyclohexylphosphino)-N,N-dimethyl-
2′-(Dicyclohexylphosphino)-N,N-dimethyl[1,1′-biphenyl]-2-amine
2′-(Dicyclohexylphosphino)-N,N-dimethyl-[1,1′-biphenyl]-2-amine
2-(N,N-Dimethylamino)-2′-(dicyclohexylphosphino)biphenyl
2-Dicyclohexylphosphino-2′-(N,N-dimethylamino)biphenyl
2-(Dicyclohexylphosphino)-2′-(dimethylamino)biphenyl
2-Dicyclohexylphosphino-2′-dimethylamino-1,1′-biphenyl
DavePhos
Dicyclohexyl[2′-(dimethylamino)biphenyl-2-yl]phosphine
2′-(Dicyclohexylphosphino)-N,N-dimethylbiphenyl-2-amine
(2-Dimethylamino-1,1′-biphenyl-2-yl)dicyclohexylphosphine
2′-(Dicyclohexylphosphanyl)-N,N-dimethylbiphenyl-2-amine
2-[2-(Dicyclohexylphosphanyl)phenyl]-N,N-dimethylaniline
2-(2-Dicyclohexylphosphanylphenyl)-N,N-dimethylaniline
Identifiers:
SMILES:
CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
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
Key Properties
Melting Point
116-118 °C
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 | 393.56 g/mol | CAS Common Chemistry |
| 393.55500000000035 g/mol | RDKit | |
| 393.25853678199996 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 |
| Molar Refractivity | 126.50500000000008 | RDKit |
