2-((Bis(2-Chloroethyl)Amino)Methyl)-1,5-Bis(4-Ethoxyphenyl)-4-Methylene-1,5-Pentanedione Hydrochloride
[CAS# 101684-61-1]

Identification

• Name: 2-((Bis(2-Chloroethyl)Amino)Methyl)-1,5-Bis(4-Ethoxyphenyl)-4-Methylene-1,5-Pentanedione Hydrochloride
• Synonyms: 2-[Bis(2-Chloroethyl)Aminomethyl]-1,5-Bis(4-Ethoxyphenyl)-4-Methylene-Pentane-1,5-Dione Hydrochloride; 2-[Bis(2-Chloroethyl)Aminomethyl]-1,5-Bis(4-Ethoxyphenyl)-4-Methylenepentane-1,5-Dione Hydrochloride; 2-[Bis(2-Chloroethyl)Aminomethyl]-1,5-Bis(4-Ethoxyphenyl)-4-Methylidene-Pentane-1,5-Dione Hydrochloride
• Molecular Formula: C₂₇H₃₄Cl₃NO₄
• Molecular Weight: 542.93
• CAS Registry Number: 101684-61-1
• SMILES: [H+].C2=C(C(=O)C(CC(C(=O)C1=CC=C(OCC)C=C1)=C)CN(CCCl)CCCl)C=CC(=C2)OCC.[Cl-]
• InChI: 1S/C27H33Cl2NO4.ClH/c1-4-33-24-10-6-21(7-11-24)26(31)20(3)18-23(19-30(16-14-28)17-15-29)27(32)22-8-12-25(13-9-22)34-5-2;/h6-13,23H,3-5,14-19H2,1-2H3;1H
• InChIKey: WUMCLZQRDJWWPQ-UHFFFAOYSA-N

Properties

• Boiling point: 632°C at 760 mmHg (Cal.)
• Flash point: 336°C (Cal.)