2-methyl-5-phenylaniline

• ChemBase ID: 52199
• Molecular Formular: C13H13N
• Molecular Mass: 183.24902
• Monoisotopic Mass: 183.10479942
• SMILES: Nc1c(ccc(c1)c1ccccc1)C
• Canonical SMILES: Cc1ccc(cc1N)c1ccccc1
• InChI: InChI=1S/C13H13N/c1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11/h2-9H,14H2,1H3
• InChIKey: YLKSTPDTTKOSIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-phenylaniline
• IUPAC Traditional name: 2-methyl-5-phenylaniline
• Synonyms: 5-Phenyl-o-toluidine; 4-Methylbiphenyl-3-ylamine; 5-Phenyl-o-toluidine; 3-Amino-4-methylbiphenyl; 3-氨基-4-甲基联苯

Database IDs

• CAS Number: 80938-67-6
• MDL Number: MFCD00270126
• PubChem SID: 162056962
• PubChem CID: 149880

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2860577
• LogD (pH = 7.4): 3.3047233
• Log P: 3.3049667
• Molar Refractivity: 60.9358 cm^3
• Polarizability: 24.358961 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58-60°C

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• European Hazard Symbols: X
• Risk Statements: 40
• Safety Statements: 36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS08
• GHS Hazard statements: H351
• GHS Precautionary statements: P281-P201-P202-P308+P313-P405-P501A

Product Information

• Purity: 98%