2-Diethylaminoethyl 2-Phenylbutyrate Citrate Salt
[CAS# 13900-12-4]

Identification

• Classification: Analytical chemistry >> Standard >> Analytical standard
• Name: 2-Diethylaminoethyl 2-Phenylbutyrate Citrate Salt
• Synonyms: Citric Acid; 2-Diethylaminoethyl 2-Phenylbutanoate; Citric Acid; 2-Phenylbutanoic Acid 2-Diethylaminoethyl Ester; Citric Acid; 2-Phenylbutyric Acid 2-Diethylaminoethyl Ester
• Molecular Formula: C₂₂H₃₃NO₉
• Molecular Weight: 455.50
• CAS Registry Number: 13900-12-4
• EINECS: 237-671-6
• SMILES: C1=CC=CC=C1C(C(OCCN(CC)CC)=O)CC.C(C(CC(O)=O)(C(O)=O)O)C(O)=O
• InChI: 1S/C16H25NO2.C6H8O7/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: VVNURWKSPYZZCI-UHFFFAOYSA-N

Properties

• Boiling point: 348°C at 760 mmHg (Cal.)
• Flash point: 110.3°C (Cal.)