1-Phenylethanaminium {[(2R)-6,7-dichloro-2-methyl-1-oxo-2-phenyl-2,3-dihydro-1H-inden-5-yl]oxy}acetate
[CAS# 77411-70-2]

Identification

• Name: 1-Phenylethanaminium {[(2R)-6,7-dichloro-2-methyl-1-oxo-2-phenyl-2,3-dihydro-1H-inden-5-yl]oxy}acetate
• Synonyms: α-methylbenzylammonium (R)-[(6,7-dichloro-2,3-dihydro-2-methyl-1-oxo-2-phenyl-1H-inden-5-yl)oxy]acetate
• Molecular Formula: C₂₆H₂₅Cl₂NO₄
• Molecular Weight: 486.39
• CAS Registry Number: 77411-70-2
• EINECS: 278-684-7
• SMILES: [NH3+]C(C)c1ccccc1.[O-]C(=O)COc2cc1C[C@@](C)(C(=O)c1c(Cl)c2Cl)c3ccccc3
• InChI: 1S/C18H14Cl2O4.C8H11N/c1-18(11-5-3-2-4-6-11)8-10-7-12(24-9-13(21)22)15(19)16(20)14(10)17(18)23;1-7(9)8-5-3-2-4-6-8/h2-7H,8-9H2,1H3,(H,21,22);2-7H,9H2,1H3/t18-;/m1./s1
• InChIKey: WQAAIALFRWKTEZ-GMUIIQOCSA-N

Properties

• Boiling point: 659.1°C at 760 mmHg (Cal.)
• Flash point: 352.4°C (Cal.)