3-[(4-Methyl-1,4-diazepan-1-yl)methyl]benzoic acid
[CAS# 885277-07-6]

Identification

• Name: 3-[(4-Methyl-1,4-diazepan-1-yl)methyl]benzoic acid
• Molecular Formula: C₁₄H₂₀N₂O₂
• Molecular Weight: 248.32
• CAS Registry Number: 885277-07-6
• SMILES: CN1CCCN(CC1)Cc2cccc(c2)C(=O)O
• InChI: 1S/C14H20N2O2/c1-15-6-3-7-16(9-8-15)11-12-4-2-5-13(10-12)14(17)18/h2,4-5,10H,3,6-9,11H2,1H3,(H,17,18)
• InChIKey: HZVHQQUCGJKEAH-UHFFFAOYSA-N

Properties

• Density: 1.144g/cm³ (Cal.)
• Boiling point: 391.533°C at 760 mmHg (Cal.)
• Flash point: 190.592°C (Cal.)
• Refractive index: 1.568 (Cal.)