Benzoyl Norecgonine
[CAS# 41889-45-6]

Identification

• Classification: Analytical chemistry >> Standard >> Forensic and veterinary standards
• Name: Benzoyl Norecgonine
• Synonyms: (1R,2R,3S,5S)-3-(Oxo-Phenylmethoxy)-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid; (1R,2R,3S,5S)-3-Phenylcarbonyloxy-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid; 8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid, 3-(Benzoyloxy)-, [1R-(Exo,Exo)]-
• Molecular Formula: C₁₅H₁₇NO₄
• Molecular Weight: 275.30
• CAS Registry Number: 41889-45-6
• SMILES: [C@H]1([C@@H]3N[C@H](C[C@@H]1OC(=O)C2=CC=CC=C2)CC3)C(=O)O
• InChI: 1S/C15H17NO4/c17-14(18)13-11-7-6-10(16-11)8-12(13)20-15(19)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,17,18)/t10-,11+,12-,13+/m0/s1
• InChIKey: CMYJDRSCSOXYHG-QNWHQSFQSA-N

Properties

• Density: 1.323g/cm³ (Cal.)
• Boiling point: 456.507°C at 760 mmHg (Cal.)
• Flash point: 229.888°C (Cal.)