2-amino-4-(3-benzyloxyphenyl)-1-[3-(hydroxymethyl)cyclobutyl]pyrrole-3-carbonitrile
[CAS# 952138-97-5]

Identification

• Name: 2-amino-4-(3-benzyloxyphenyl)-1-[3-(hydroxymethyl)cyclobutyl]pyrrole-3-carbonitrile
• Synonyms: 2-amino-4-(3-(benzyloxy)phenyl)-1-(3-(hydroxymethyl)cyclobutyl)-1H-pyrrole-3-carbonitrile
• Molecular Formula: C₂₃H₂₃N₃O₂
• Molecular Weight: 373.45
• CAS Registry Number: 952138-97-5
• SMILES: c1ccc(cc1)COc2cccc(c2)c3cn(c(c3C#N)N)C4CC(C4)CO
• InChI: 1S/C23H23N3O2/c24-12-21-22(13-26(23(21)25)19-9-17(10-19)14-27)18-7-4-8-20(11-18)28-15-16-5-2-1-3-6-16/h1-8,11,13,17,19,27H,9-10,14-15,25H2
• InChIKey: SNRVLJXBJHBZAT-UHFFFAOYSA-N

Properties

• Density: 1.258g/cm³ (Cal.)
• Boiling point: 649.663°C at 760 mmHg (Cal.)
• Flash point: 346.704°C (Cal.)
• Refractive index: 1.651 (Cal.)