2-(2-Benzylphenoxy)-N,N-dimethylethanaminium 3,4-dicarboxy-3-hydroxybutanoate hydrochloride (1:1:1)
[CAS# 71720-57-5]

Identification

• Name: 2-(2-Benzylphenoxy)-N,N-dimethylethanaminium 3,4-dicarboxy-3-hydroxybutanoate hydrochloride (1:1:1)
• Synonyms: [2-(2-benzylphenoxy)ethyl]dimethylammonium dihydrogen citrate hydrochloride
• Molecular Formula: C₂₃H₃₀ClNO₈
• Molecular Weight: 483.94
• CAS Registry Number: 71720-57-5
• EINECS: 275-905-9
• SMILES: Cl.OC(=O)C(O)(CC(O)=O)CC([O-])=O.C[NH+](C)CCOc2ccccc2Cc1ccccc1
• InChI: 1S/C17H21NO.C6H8O7.ClH/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10;/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H
• InChIKey: IDHSJDMEPAXBNG-UHFFFAOYSA-N

Properties

• Boiling point: 595.5°C at 760 mmHg (Cal.)
• Flash point: 313.9°C (Cal.)