Nareline
[CAS# 63950-46-9]

Identification

• Name: Nareline
• Synonyms: Inchi=1/C20h20n2o4/C1-3-9-10-8-13-17-20(14(10)18(23)25-2,11-6-4-5-7-12(11)21-17)15-16(9)22(13)26-19(15)24/H3-7,10,13-16,19,24H,8H2,1-2H3/B9-3+/T10-,13+,14?,15?,16-,19+,20?/M1/S; Narelin; Beta-D-Glucopyranoside, 3,4,5-Trimethoxyphenyl
• Molecular Formula: C₂₀H₂₀N₂O₄
• Molecular Weight: 352.39
• CAS Registry Number: 63950-46-9
• SMILES: C1=CC=CC3=C1C25C6C4N(C(C2=N3)CC(\C4=C/C)C5C(=O)OC)OC6O
• InChI: 1S/C20H20N2O4/c1-3-9-10-8-13-17-20(14(10)18(23)25-2,11-6-4-5-7-12(11)21-17)15-16(9)22(13)26-19(15)24/h3-7,10,13-16,19,24H,8H2,1-2H3/b9-3+
• InChIKey: RTKCXWGAPBPXSB-YCRREMRBSA-N

Properties

• Density: 1.678g/cm³ (Cal.)
• Boiling point: 513.417°C at 760 mmHg (Cal.)
• Flash point: 264.305°C (Cal.)