Metabutethamine
[CAS# 4439-25-2]

Identification

• Name: Metabutethamine
• Synonyms: 2-(Isobutylamino)Ethyl 3-Aminobenzoate; 3-Aminobenzoic Acid 2-(Isobutylamino)Ethyl Ester; Metabutethamine
• Molecular Formula: C₁₃H₂₀N₂O₂
• Molecular Weight: 236.31
• CAS Registry Number: 4439-25-2
• SMILES: C1=C(C=CC=C1C(OCCNCC(C)C)=O)N
• InChI: 1S/C13H20N2O2/c1-10(2)9-15-6-7-17-13(16)11-4-3-5-12(14)8-11/h3-5,8,10,15H,6-7,9,14H2,1-2H3
• InChIKey: BXMFKNRZTLNAFY-UHFFFAOYSA-N

Properties

• Density: 1.068g/cm³ (Cal.)
• Boiling point: 383.745°C at 760 mmHg (Cal.)
• Flash point: 185.883°C (Cal.)