Ditran
[CAS# 8015-54-1]

Identification

• Name: Ditran
• Synonyms: (1-Ethylpyrrolidin-2-Yl)Methyl 2-Cyclopentyl-2-Hydroxy-2-Phenyl-Acetate Dihydrochloride; 2-Cyclopentyl-2-Hydroxy-2-Phenylacetic Acid (1-Ethyl-2-Pyrrolidinyl)Methyl Ester Dihydrochloride; 2-Cyclopentyl-2-Hydroxy-2-Phenyl-Acetic Acid (1-Ethylpyrrolidin-2-Yl)Methyl Ester Dihydrochloride
• Molecular Formula: C₄₀H₆₀Cl₂N₂O₆
• Molecular Weight: 735.83
• CAS Registry Number: 8015-54-1
• SMILES: C1(CCCC1)C(O)(C2=CC=CC=C2)C(OCC3N(CCC3)CC)=O.[H+].[H+].C(OC(=O)C(O)(C4CCCC4)C5=CC=CC=C5)C6N(CCC6)CC.[Cl-].[Cl-]
• InChI: 1S/2C20H29NO3.2ClH/c2*1-2-21-14-8-13-18(21)15-24-19(22)20(23,17-11-6-7-12-17)16-9-4-3-5-10-16;;/h2*3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3;2*1H
• InChIKey: BHAQKBQTNVWCPO-UHFFFAOYSA-N

Properties

• Boiling point: 458.8°C at 760 mmHg (Cal.)
• Flash point: 231.3°C (Cal.)