2-(4-Methylphenyl)Azepane
[CAS# 168890-45-7]

Identification

• Name: 2-(4-Methylphenyl)Azepane
• Synonyms: 1H-azepine, hexahydro-2-(4-methylphenyl); 2-(4-methylphenyl)azaperhydroepine
• Molecular Formula: C₁₃H₁₉N
• Molecular Weight: 189.30
• CAS Registry Number: 168890-45-7
• SMILES: CC1=CC=C(C=C1)C2CCCCCN2
• InChI: 1S/C13H19N/c1-11-6-8-12(9-7-11)13-5-3-2-4-10-14-13/h6-9,13-14H,2-5,10H2,1H3
• InChIKey: COHNBVKUGIKOPE-UHFFFAOYSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 297.8±19.0°C at 760 mmHg (Cal.)
• Flash point: 136.7±16.9°C (Cal.)
• Refractive index: 1.513 (Cal.)

Safety Data

• Safety Description: IRRITANT