Chloro-Acetic Acid 8-Methyl-8-Aza-Bicyclo[3.2.1]Oct-3-Yl Ester
[CAS# 438581-53-4]

Identification

• Name: Chloro-Acetic Acid 8-Methyl-8-Aza-Bicyclo[3.2.1]Oct-3-Yl Ester
• Synonyms: 2-Chloroacetic Acid [(1R,5S)-8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl] Ester; [(1R,5S)-8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl] 2-Chloroethanoate; Zinc00316562
• Molecular Formula: C₁₀H₁₇ClNO₂
• Molecular Weight: 218.70
• CAS Registry Number: 438581-53-4
• SMILES: [C@@H]12[NH+]([C@@H](CC(OC(=O)CCl)C1)CC2)C
• InChI: 1S/C10H16ClNO2/c1-12-7-2-3-8(12)5-9(4-7)14-10(13)6-11/h7-9H,2-6H2,1H3/p+1/t7-,8+,9?
• InChIKey: VWTGJYAUYFEGMB-JVHMLUBASA-O

Properties

• Boiling point: 277.651°C at 760 mmHg (Cal.)
• Flash point: 121.719°C (Cal.)