4-(Benzo[1,3]Dioxol-5-Ylcarbamoyl)-3,3-Dimethyl-Butyric Acid
[CAS# 436088-57-2]

Identification

• Name: 4-(Benzo[1,3]Dioxol-5-Ylcarbamoyl)-3,3-Dimethyl-Butyric Acid
• Synonyms: 5-(1,3-Benzodioxol-5-Ylamino)-3,3-Dimethyl-5-Oxo-Pentanoate; 5-(1,3-Benzodioxol-5-Ylamino)-5-Keto-3,3-Dimethyl-Valerate; Zinc00176079
• Molecular Formula: C₁₄H₁₆NO₅
• Molecular Weight: 278.28
• CAS Registry Number: 436088-57-2
• SMILES: C1=C(NC(=O)CC(CC([O-])=O)(C)C)C=CC2=C1OCO2
• InChI: 1S/C14H17NO5/c1-14(2,7-13(17)18)6-12(16)15-9-3-4-10-11(5-9)20-8-19-10/h3-5H,6-8H2,1-2H3,(H,15,16)(H,17,18)/p-1
• InChIKey: RYEXWDNLTAIVKC-UHFFFAOYSA-M

Properties

• Boiling point: 519.188°C at 760 mmHg (Cal.)
• Flash point: 267.796°C (Cal.)