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Octyl 4-Aminobenzoate
[CAS# 14309-41-2]

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Identification
Name Octyl 4-Aminobenzoate
Synonyms 4-Aminobenzoic Acid Octyl Ester; Ak-918/40197713; Nsc522884
Molecular Structure CAS#: 14309-41-2, Octyl 4-Aminobenzoate
Molecular Formula C15H23NO2
Molecular Weight 249.35
CAS Registry Number 14309-41-2
SMILES C1=C(C(=O)OCCCCCCCC)C=CC(=C1)N
InChI 1S/C15H23NO2/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11H,2-7,12,16H2,1H3
InChIKey XOEUGELJHSUYGP-UHFFFAOYSA-N
Properties
Density 1.017g/cm3 (Cal.)
Boiling point 390.571°C at 760 mmHg (Cal.)
Flash point 226.252°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
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