1-(4-phenylphenyl)ethan-1-amine

• ChemBase ID: 73579
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: NC(c1ccc(cc1)c1ccccc1)C
• Canonical SMILES: CC(c1ccc(cc1)c1ccccc1)N
• InChI: InChI=1S/C14H15N/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,15H2,1H3
• InChIKey: QVLZRPPCCDKMPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-phenylphenyl)ethan-1-amine
• IUPAC Traditional name: 1-(4-phenylphenyl)ethanamine
• Synonyms: 1-(1,1'-biphenyl-4-yl)ethanamine; (1-biphenyl-4-ylethyl)amine; 1-(Biphenyl-4-yl)ethylamine; 4-(1-Aminoethyl)biphenyl; 4-(1-Aminoethyl)biphenyl; 1-(4-Biphenylyl)ethylamine

Database IDs

• CAS Number: 86217-82-5
• MDL Number: MFCD02667819
• PubChem SID: 162038498
• PubChem CID: 2771754

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.15777314
• LogD (pH = 7.4): 0.9275906
• Log P: 3.1628146
• Molar Refractivity: 64.0864 cm^3
• Polarizability: 26.709408 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 20 - 22°C
• Hydrophobicity(logP): 3.291

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%; 97%