4-(dicyclohexylphosphanyl)-N,N-dimethylaniline

• ChemBase ID: 140944
• Molecular Formular: C20H32NP
• Molecular Mass: 317.448541
• Monoisotopic Mass: 317.22723666
• SMILES: CN(C)c1ccc(cc1)P(C1CCCCC1)C1CCCCC1
• Canonical SMILES: CN(c1ccc(cc1)P(C1CCCCC1)C1CCCCC1)C
• InChI: InChI=1S/C20H32NP/c1-21(2)17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h13-16,18-19H,3-12H2,1-2H3
• InChIKey: RKUHKZXJHGGGSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(dicyclohexylphosphanyl)-N,N-dimethylaniline
• IUPAC Traditional name: 4-(dicyclohexylphosphanyl)-N,N-dimethylaniline
• Synonyms: Dicyclohexyl(4-(N,N-dimethylamino)phenyl)phosphine; 二环己基(4-(N,N-二甲基氨基)苯基)膦

Database IDs

• CAS Number: 40438-64-0
• MDL Number: MFCD11044859
• PubChem SID: 162235181
• PubChem CID: 142458

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.794121
• LogD (pH = 7.4): 4.824026
• Log P: 5.3928
• Molar Refractivity: 98.4263 cm^3
• Polarizability: 38.55536 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 103-108 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H413
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C20H32NP

DETAILS

Sigma Aldrich - 692689

Packaging
1 g in glass bottle
250 mg in glass bottle
Application

• Catalyst for cycloaddition reactions in the presence of rhodium-catalysts1
Protocols & Applications
Efficient Suzuki Coupling with A-Phos Complexes