Pth-DL-alpha-Aminocaprylic Acid
[CAS# 66359-13-5]

Identification

• Name: Pth-DL-alpha-Aminocaprylic Acid
• Synonyms: 5-Hexyl-3-Phenyl-2-Thioxo-Imidazolidin-4-One; 5-Hexyl-3-Phenyl-2-Thioxo-4-Imidazolidinone; 5-Hexyl-3-Phenyl-2-Sulfanylidene-Imidazolidin-4-One
• Molecular Formula: C₁₅H₂₀N₂OS
• Molecular Weight: 276.40
• CAS Registry Number: 66359-13-5
• SMILES: C1=CC=CC=C1N2C(C(CCCCCC)NC2=S)=O
• InChI: 1S/C15H20N2OS/c1-2-3-4-8-11-13-14(18)17(15(19)16-13)12-9-6-5-7-10-12/h5-7,9-10,13H,2-4,8,11H2,1H3,(H,16,19)
• InChIKey: PVKFHMYHOHHPAJ-UHFFFAOYSA-N

Properties

• Density: 1.171g/cm³ (Cal.)
• Boiling point: 373.245°C at 760 mmHg (Cal.)
• Flash point: 179.532°C (Cal.)