(5R,6R)-7-Ethyl-5-(3-Hydroxybenzoyl)Oxy-7-Azabicyclo[2.2.1]Heptane-6-Carboxylic Acid
[CAS# 129944-99-6]

Identification

• Classification: Analytical chemistry >> Standard >> Forensic and veterinary standards
• Name: (5R,6R)-7-Ethyl-5-(3-Hydroxybenzoyl)Oxy-7-Azabicyclo[2.2.1]Heptane-6-Carboxylic Acid
• Synonyms: (5R,6R)-7-Ethyl-5-[(3-Hydroxyphenyl)-Oxomethoxy]-7-Azabicyclo[2.2.1]Heptane-6-Carboxylic Acid; (5R,6R)-7-Ethyl-5-(3-Hydroxyphenyl)Carbonyloxy-7-Azabicyclo[2.2.1]Heptane-6-Carboxylic Acid; (1R-(Exo,Exo))-3-((3-Hydroxybenzoyl)Oxy)-8-Methyl-8-Azabicyclo(3.2.1)Octane-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₉NO₅
• Molecular Weight: 305.33
• CAS Registry Number: 129944-99-6
• SMILES: N2(C3[C@H](OC(=O)C1=CC(=CC=C1)O)[C@@H](C2CC3)C(=O)O)CC
• InChI: 1S/C16H19NO5/c1-2-17-11-6-7-12(17)14(13(11)15(19)20)22-16(21)9-4-3-5-10(18)8-9/h3-5,8,11-14,18H,2,6-7H2,1H3,(H,19,20)/t11?,12?,13-,14+/m1/s1
• InChIKey: PAUMUFOIQAOWRE-PQAZSJQKSA-N

Properties

• Density: 1.388g/cm³ (Cal.)
• Boiling point: 513.948°C at 760 mmHg (Cal.)
• Flash point: 264.626°C (Cal.)