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Hexyl 4-Aminobenzoate
[CAS# 13476-55-6]

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Identification
Name Hexyl 4-Aminobenzoate
Synonyms 4-Aminobenzoic acid hexyl ester; BAS 00531472; ZINC01771487
Molecular Structure CAS#: 13476-55-6, Hexyl 4-Aminobenzoate
Molecular Formula C13H19NO2
Molecular Weight 221.30
CAS Registry Number 13476-55-6
SMILES CCCCCCOC(=O)C1=CC=C(C=C1)N
InChI 1S/C13H19NO2/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h6-9H,2-5,10,14H2,1H3
InChIKey UWIGKXXCHKVGHW-UHFFFAOYSA-N
Properties
Density 1.0±0.1g/cm3 (Cal.)
Boiling point 363.5±15.0°C at 760 mmHg (Cal.)
Flash point 205.6±17.9°C (Cal.)
Refractive index 1.529 (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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