4-Aminobenzoic Acid Heptyl Ester
[CAS# 14309-40-1]

Identification

• Name: 4-Aminobenzoic Acid Heptyl Ester
• Synonyms: 4-Aminobenzoic Acid Heptyl Ester; Heptyl P-Aminobenzoate
• Molecular Formula: C₁₄H₂₁NO₂
• Molecular Weight: 235.33
• CAS Registry Number: 14309-40-1
• SMILES: C1=CC(=CC=C1C(OCCCCCCC)=O)N
• InChI: 1S/C14H21NO2/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10H,2-6,11,15H2,1H3
• InChIKey: IAHJVNSZPMIREM-UHFFFAOYSA-N

Properties

• Density: 1.029g/cm³ (Cal.)
• Boiling point: 377.057°C at 760 mmHg (Cal.)
• Flash point: 216.022°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