ethyl (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-(1,3-dioxoisoindolin-2-yl)propanoate hydrochloride
[CAS# 94213-26-0]

Identification

• Name: ethyl (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-(1,3-dioxoisoindolin-2-yl)propanoate hydrochloride
• Synonyms: ethyl (S)-α-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate monohydrochloride
• Molecular Formula: C₂₃H₂₅Cl₃N₂O₄
• Molecular Weight: 499.82
• CAS Registry Number: 94213-26-0
• EINECS: 303-729-5
• SMILES: Cl.ClCCN(CCCl)c1ccc(cc1)C[C@@H](C(=O)OCC)N3C(=O)c2ccccc2C3=O
• InChI: 1S/C23H24Cl2N2O4.ClH/c1-2-31-23(30)20(27-21(28)18-5-3-4-6-19(18)22(27)29)15-16-7-9-17(10-8-16)26(13-11-24)14-12-25;/h3-10,20H,2,11-15H2,1H3;1H/t20-;/m0./s1
• InChIKey: ZDMKHZBXBXPVCC-BDQAORGHSA-N

Properties

• Boiling point: 632.3°C at 760 mmHg (Cal.)
• Flash point: 336.2°C (Cal.)