2-(4-phenylphenyl)ethan-1-amine

• ChemBase ID: 7922
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: c1cccc(c1)c1ccc(cc1)CCN
• Canonical SMILES: NCCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C14H15N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11,15H2
• InChIKey: WHPLBPSDTIZFSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenyl)ethan-1-amine
• IUPAC Traditional name: 2-(4-phenylphenyl)ethanamine
• Synonyms: 2-(4-Biphenyl)ethylamine; 2-(4-Biphenylyl)ethylamine; 2-(4-Biphenyl)ethylamine; 2-(4-联苯)乙胺

Database IDs

• CAS Number: 17027-51-9
• MDL Number: MFCD01310786
• PubChem SID: 24879855; 160971229
• PubChem CID: 28210

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.02533902
• LogD (pH = 7.4): 0.7349328
• Log P: 3.034901
• Molar Refractivity: 64.4226 cm^3
• Polarizability: 26.626776 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 50-54 °C(lit.); 50-54°C; 53-55°C
• Flash Point: >110°C(230°F)

Safety Information

• Storage Warning: Air Sensitive; IRRITANT, IRRITANT-HARMFUL
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 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-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: C6H5C6H4CH2CH2NH2

DETAILS

Sigma Aldrich - 560227

Packaging
1, 5 g in glass bottle