115610-36-1

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115610-36-1 Structure

Identification	Back Directory
[Name] 2-[[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoic acid
[CAS] 115610-36-1
[Synonyms] Avenanthramide D 2-[[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoic acid
[Molecular Formula] C16H13NO4
[MOL File] 115610-36-1.mol
[Molecular Weight] 283.28

Chemical Properties	Back Directory
[Melting point ] 220 °C(Solv: water (7732-18-5); acetone (67-64-1))
[Boiling point ] 578.1±50.0 °C(Predicted)
[density ] 1.400±0.06 g/cm3(Predicted)
[form ] solid
[pka] 3.47±0.36(Predicted)
[InChI] 1S/C16H13NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,17,19)(H,20,21)/b10-7+
[InChIKey] INBHLTYBRKASIZ-JXMROGBWSA-N
[SMILES] N(c2c(cccc2)C(=O)O)C(=O)\C=C\c1ccc(cc1)O

Safety Data	Back Directory
[WGK Germany ] WGK 3
[Storage Class] 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
[Hazard Classifications] Eye Irrit. 2 Repr. 1B Skin Irrit. 2 STOT SE 3

Hazard Information	Back Directory
[Definition] ChEBI: Avenanthramide 1p is a member of benzamides and an alkaloid.

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