Bis(monochloroacetyl)ajmaline hydrochloride (1:1)
[CAS# 2552-89-8]

Identification

• Name: Bis(monochloroacetyl)ajmaline hydrochloride (1:1)
• Synonyms: Ajmaline, bis(chloroacetate) (ester), hydrochloride; Bis(monochloroacetyl)ajmaline; DCAA
• Molecular Formula: C₂₄H₂₉Cl₃N₂O₄
• Molecular Weight: 515.86
• CAS Registry Number: 2552-89-8
• SMILES: Cl.ClCC(=O)O[C@H]3N4[C@@H]2[C@@H]6N(c1c(cccc1)C65[C@H](OC(=O)CCl)C(C(C2)[C@@H]3CC)[C@@H]4C5)C
• InChI: 1S/C24H28Cl2N2O4.ClH/c1-3-12-13-8-16-21-24(14-6-4-5-7-15(14)27(21)2)9-17(20(13)22(24)31-18(29)10-25)28(16)23(12)32-19(30)11-26;/h4-7,12-13,16-17,20-23H,3,8-11H2,1-2H3;1H/t12-,13?,16-,17-,20?,21-,22+,23+,24?;/m0./s1
• InChIKey: UWIVMLUBHUNIBC-MJSUFJGSSA-N

Properties

• Boiling point: 580.4°C at 760 mmHg (Cal.)
• Flash point: 304.8°C (Cal.)
• Refractive index: (Cal.)