2-Diethylaminoethyl 2-(4-Isothiocyanatophenyl)-2-Phenylpropanoate Oxalate
[CAS# 130746-91-7]

Identification

• Name: 2-Diethylaminoethyl 2-(4-Isothiocyanatophenyl)-2-Phenylpropanoate Oxalate
• Synonyms: 2-Diethylaminoethyl 2-(4-Isothiocyanatophenyl)-2-Phenyl-Propanoate; Oxalate; 2-(4-Isothiocyanatophenyl)-2-Phenylpropanoic Acid 2-Diethylaminoethyl Ester; Oxalate; 2-(4-Isothiocyanatophenyl)-2-Phenyl-Propionic Acid 2-Diethylaminoethyl Ester; Oxalate
• Molecular Formula: C₂₄H₂₆N₂O₆S
• Molecular Weight: 470.54
• CAS Registry Number: 130746-91-7
• SMILES: S=C=NC2=CC=C(C(C1=CC=CC=C1)(C(OCCN(CC)CC)=O)C)C=C2.O=C([O-])C([O-])=O
• InChI: 1S/C22H26N2O2S.C2H2O4/c1-4-24(5-2)15-16-26-21(25)22(3,18-9-7-6-8-10-18)19-11-13-20(14-12-19)23-17-27;3-1(4)2(5)6/h6-14H,4-5,15-16H2,1-3H3;(H,3,4)(H,5,6)/p-2
• InChIKey: AGMGQDOWYGYXDR-UHFFFAOYSA-L

Properties

• Boiling point: 509.8°C at 760 mmHg (Cal.)
• Flash point: 262.1°C (Cal.)