Ethyl (1R,2S)-2-[(Bis(2-Hydroxyethyl)Amino)Methyl]-1-Phenyl-Cyclopropane-1-Carboxylate But-2-Enedioic Acid
[CAS# 85467-24-9]

Identification

• Name: Ethyl (1R,2S)-2-[(Bis(2-Hydroxyethyl)Amino)Methyl]-1-Phenyl-Cyclopropane-1-Carboxylate But-2-Enedioic Acid
• Synonyms: But-2-Enedioic Acid; Ethyl (1R,2S)-2-[(Bis(2-Hydroxyethyl)Amino)Methyl]-1-Phenyl-Cyclopropane-1-Carboxylate; (1R,2S)-2-[(Bis(2-Hydroxyethyl)Amino)Methyl]-1-Phenyl-1-Cyclopropanecarboxylic Acid Ethyl Ester; But-2-Enedioic Acid; (1R,2S)-2-[(Bis(2-Hydroxyethyl)Amino)Methyl]-1-Phenyl-Cyclopropane-1-Carboxylic Acid Ethyl Ester; But-2-Enedioic Acid
• Molecular Formula: C₂₁H₂₉NO₈
• Molecular Weight: 423.46
• CAS Registry Number: 85467-24-9
• SMILES: [C@@]1([C@H](C1)CN(CCO)CCO)(C2=CC=CC=C2)C(OCC)=O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C17H25NO4.C4H4O4/c1-2-22-16(21)17(14-6-4-3-5-7-14)12-15(17)13-18(8-10-19)9-11-20;5-3(6)1-2-4(7)8/h3-7,15,19-20H,2,8-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t15-,17+;/m1./s1
• InChIKey: FVRWSVHBLIMFCQ-RMLXEDMZSA-N

Properties

• Boiling point: 463.1°C at 760 mmHg (Cal.)
• Flash point: 233.9°C (Cal.)