Rofelodine
[CAS# 76696-97-4]

Identification

• Name: Rofelodine
• Synonyms: ( -)-2,3,4,6,7,8-Hexahydro-7-Phenylpyrrolo(1,2-A)Pyrimidin-4-On; (+-)-2,6,7,8-Tetrahydro-7-Phenylpyrrolo(1,2-A)Pyrimidin-4(3H)-One; 2,6,7,8-Tetrahydro-7-Phenylpyrrolo(1,2-A)Pyrimidin-4(3H)-One
• Molecular Formula: C₁₃H₁₄N₂O
• Molecular Weight: 214.27
• CAS Registry Number: 76696-97-4
• SMILES: C3=C(C2CN1C(CCN=C1C2)=O)C=CC=C3
• InChI: 1S/C13H14N2O/c16-13-6-7-14-12-8-11(9-15(12)13)10-4-2-1-3-5-10/h1-5,11H,6-9H2
• InChIKey: JFKIAPMUYQUVHX-UHFFFAOYSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 358.858°C at 760 mmHg (Cal.)
• Flash point: 170.832°C (Cal.)