3-[(Pyridin-3-Ylmethyl)-Carbamoyl]-Bicyclo[2.2.1]Hept-5-Ene-2-Carboxylic Acid
[CAS# 436811-05-1]

Identification

• Name: 3-[(Pyridin-3-Ylmethyl)-Carbamoyl]-Bicyclo[2.2.1]Hept-5-Ene-2-Carboxylic Acid
• Synonyms: (1S,4R,5S,6S)-6-(3-Pyridylmethylcarbamoyl)Bicyclo[2.2.1]Hept-2-Ene-5-Carboxylate; (1S,4R,5S,6S)-6-[Oxo-(3-Pyridylmethylamino)Methyl]-5-Bicyclo[2.2.1]Hept-2-Enecarboxylate; Zinc00256162
• Molecular Formula: C₁₅H₁₅N₂O₃
• Molecular Weight: 271.30
• CAS Registry Number: 436811-05-1
• SMILES: [C@H]1([C@H]([C@@H]2C[C@H]1C=C2)C([O-])=O)C(=O)NCC3=CC=CN=C3
• InChI: 1S/C15H16N2O3/c18-14(17-8-9-2-1-5-16-7-9)12-10-3-4-11(6-10)13(12)15(19)20/h1-5,7,10-13H,6,8H2,(H,17,18)(H,19,20)/p-1/t10-,11+,12+,13+/m1/s1
• InChIKey: HXPMRMUNVRANRB-VOAKCMCISA-M

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 587.94°C at 760 mmHg (Cal.)
• Flash point: 309.375°C (Cal.)