4-[2-(Hydroxymethyl)-2-Methylpentyloxycarbonylamino]Benzoic Acid
[CAS# 25384-43-4]

Identification

• Name: 4-[2-(Hydroxymethyl)-2-Methylpentyloxycarbonylamino]Benzoic Acid
• Synonyms: 4-[[2-(Hydroxymethyl)-2-Methyl-Pentoxy]Carbonylamino]Benzoic Acid; 4-[[[2-(Hydroxymethyl)-2-Methylpentoxy]-Oxomethyl]Amino]Benzoic Acid; 4-[(2-Methyl-2-Methylol-Pentoxy)Carbonylamino]Benzoic Acid
• Molecular Formula: C₁₅H₂₁NO₅
• Molecular Weight: 295.33
• CAS Registry Number: 25384-43-4
• SMILES: C1=C(NC(=O)OCC(CO)(CCC)C)C=CC(=C1)C(=O)O
• InChI: 1S/C15H21NO5/c1-3-8-15(2,9-17)10-21-14(20)16-12-6-4-11(5-7-12)13(18)19/h4-7,17H,3,8-10H2,1-2H3,(H,16,20)(H,18,19)
• InChIKey: GBHPLASTJYCUFJ-UHFFFAOYSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 443.779°C at 760 mmHg (Cal.)
• Flash point: 222.19°C (Cal.)