2-Amino-2-(hydroxymethyl)propane-1,3-diol 2-(5-benzoylthiophen-2-yl)propanoic acid
[CAS# 62715-04-2]

Identification

• Name: 2-Amino-2-(hydroxymethyl)propane-1,3-diol 2-(5-benzoylthiophen-2-yl)propanoic acid
• Synonyms: 2-Amino-2-(Hydroxymethyl)Propane-1,3-Diol; 2-[5-(Benzoyl)-2-Thienyl]Propanoic Acid; 2-Amino-2-(Hydroxymethyl)Propane-1,3-Diol; 2-[5-(Oxo-Phenylmethyl)-2-Thienyl]Propanoic Acid; 2-Amino-2-Methylol-Propane-1,3-Diol; 2-[5-(Benzoyl)-2-Thienyl]Propionic Acid
• Molecular Formula: C₁₈H₂₃NO₆S
• Molecular Weight: 381.44
• CAS Registry Number: 62715-04-2
• SMILES: C1=C(SC(=C1)C(C(=O)O)C)C(=O)C2=CC=CC=C2.C(O)C(N)(CO)CO
• InChI: 1S/C14H12O3S.C4H11NO3/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10;5-4(1-6,2-7)3-8/h2-9H,1H3,(H,16,17);6-8H,1-3,5H2
• InChIKey: PDWBZKWQZFGXGU-UHFFFAOYSA-N

Properties

• Boiling point: 450.3°C at 760 mmHg (Cal.)
• Flash point: 226.1°C (Cal.)