2-[(2,3-Dihydro-Benzo[1,4]Dioxine-6-Carbonyl)-Amino]-Butyric Acid
[CAS# 436855-75-3]

Identification

• Name: 2-[(2,3-Dihydro-Benzo[1,4]Dioxine-6-Carbonyl)-Amino]-Butyric Acid
• Synonyms: (2S)-2-[(2,3-Dihydro-1,4-Benzodioxin-7-Yl-Oxomethyl)Amino]Butanoate; (2S)-2-(2,3-Dihydro-1,4-Benzodioxine-7-Carbonylamino)Butyrate; (2S)-2-(2,3-Dihydro-1,4-Benzodioxin-7-Ylcarbonylamino)Butanoate
• Molecular Formula: C₁₃H₁₄NO₅
• Molecular Weight: 264.26
• CAS Registry Number: 436855-75-3
• SMILES: [C@@H](NC(=O)C2=CC1=C(OCCO1)C=C2)(C([O-])=O)CC
• InChI: 1S/C13H15NO5/c1-2-9(13(16)17)14-12(15)8-3-4-10-11(7-8)19-6-5-18-10/h3-4,7,9H,2,5-6H2,1H3,(H,14,15)(H,16,17)/p-1/t9-/m0/s1
• InChIKey: PYAFXDJGWFDAMH-VIFPVBQESA-M

Properties

• Boiling point: 462.057°C at 760 mmHg (Cal.)
• Flash point: 233.244°C (Cal.)