2-(Pentylamino)Ethyl 4-Aminobenzoate
[CAS# 2188-67-2]

Identification

• Name: 2-(Pentylamino)Ethyl 4-Aminobenzoate
• Synonyms: 4-Aminobenzoic Acid 2-(Pentylamino)Ethyl Ester; 4-Aminobenzoic Acid 2-(Amylamino)Ethyl Ester; Amylcain
• Molecular Formula: C₁₄H₂₂N₂O₂
• Molecular Weight: 250.34
• CAS Registry Number: 2188-67-2
• SMILES: C1=CC(=CC=C1C(OCCNCCCCC)=O)N
• InChI: 1S/C14H22N2O2/c1-2-3-4-9-16-10-11-18-14(17)12-5-7-13(15)8-6-12/h5-8,16H,2-4,9-11,15H2,1H3
• InChIKey: UYXHCVFXDBNRQW-UHFFFAOYSA-N

Properties

• Density: 1.054g/cm³ (Cal.)
• Boiling point: 402.605°C at 760 mmHg (Cal.)
• Flash point: 197.289°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493