(NE)-N-{[2-(diphenylphosphanyl)phenyl]methylidene}cyclohexanamine

• ChemBase ID: 297798
• Molecular Formular: C25H26NP
• Molecular Mass: 371.454401
• Monoisotopic Mass: 371.18028647
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1/C=N/C1CCCCC1
• Canonical SMILES: C1CCC(CC1)/N=C/c1ccccc1P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H26NP/c1-4-13-22(14-5-1)26-20-21-12-10-11-19-25(21)27(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h2-3,6-12,15-20,22H,1,4-5,13-14H2/b26-20+
• InChIKey: CWYDMJZWNROFGL-LHLOQNFPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (NE)-N-{[2-(diphenylphosphanyl)phenyl]methylidene}cyclohexanamine
• IUPAC Traditional name: (NE)-N-{[2-(diphenylphosphanyl)phenyl]methylidene}cyclohexanamine
• Synonyms: N-[2-(Diphenylphosphino)benzylidene]cyclohexylamine; N-[2-(二苯基磷)亚苄基]环己胺

Database IDs

• MDL Number: MFCD16251547
• PubChem SID: 180683329
• PubChem CID: 11280187

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.217163
• LogD (pH = 7.4): 3.4802828
• Log P: 6.7852
• Molar Refractivity: 116.1749 cm^3
• Polarizability: 45.211132 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%