N-(diphenylphosphanyl)-1-{2-[(diphenylphosphanyl)amino]naphthalen-1-yl}naphthalen-2-amine

• ChemBase ID: 143138
• Molecular Formular: C44H34N2P2
• Molecular Mass: 652.701682
• Monoisotopic Mass: 652.21972236
• SMILES: c1ccc(cc1)P(c1ccccc1)Nc1ccc2ccccc2c1c1c2ccccc2ccc1NP(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)Nc1ccc2c(c1c1c(ccc3c1cccc3)NP(c1ccccc1)c1ccccc1)cccc2
• InChI: InChI=1S/C44H34N2P2/c1-5-19-35(20-6-1)47(36-21-7-2-8-22-36)45-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46-48(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32,45-46H
• InChIKey: NRWZSRQDRSYPNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(diphenylphosphanyl)-1-{2-[(diphenylphosphanyl)amino]naphthalen-1-yl}naphthalen-2-amine
• IUPAC Traditional name: N-(diphenylphosphanyl)-1-{2-[(diphenylphosphanyl)amino]naphthalen-1-yl}naphthalen-2-amine
• Synonyms: (S)-(-)-2,2'-Bis(diphenylphosphinoamino)-1,1'-binaphthyl; (S)-BinamP; (R)-(+)-2,2'-Bis(diphenylphosphinoamino)-1,1'-binaphthyl; (R)-BinamP; (S)-2,2′-Bis(diphenylphosphinoamino)-1,1′-binaphthyl; (S)-Binam-P; (R)-2,2′-Bis(diphenylphosphinoamino)-1,1′-binaphthyl; (R)-Binam-P; (S)-2,2′-双(二苯基膦氨基)-1,1′-联萘; (R)-2,2′-双(二苯基膦氨基)-1,1′-联萘

Database IDs

• CAS Number: 74974-15-5; 74974-14-4
• MDL Number: MFCD01073885
• PubChem SID: 162237360
• PubChem CID: 4187663

CALCULATED PROPERTIES

• Acid pKa: 14.858854
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 10.763378
• LogD (pH = 7.4): 10.7634
• Log P: 10.7634
• Molar Refractivity: 205.237 cm^3
• Polarizability: 82.82195 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 151-156 °C; 152-156 °C
• Optical Rotation: [α]22/D -31.0°, c = 0.5 in chloroform

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37-60; 36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C44H34N2P2

DETAILS

Sigma Aldrich - 708615

Packaging
100, 500 mg in glass bottle

Sigma Aldrich - 708623

Packaging
100, 500 mg in glass bottle