Nivalin P
[CAS# 53321-09-8]

Identification

• Name: Nivalin P
• Synonyms: Nivalin P; Nivaline P
• Molecular Formula: C₂₂H₂₉BrClN₃O₃
• Molecular Weight: 498.85
• CAS Registry Number: 53321-09-8
• SMILES: [C@@]124C[C@H](O)CC=C1OC3=CC(=CC(=C23)CN(CC4)C)OC.[H+].[H+].[Cl-].[Br-].C5=C(N)C=CN=C5
• InChI: 1S/C17H21NO3.C5H6N2.BrH.ClH/c1-18-6-5-17-9-12(19)3-4-15(17)21-14-8-13(20-2)7-11(10-18)16(14)17;6-5-1-3-7-4-2-5;;/h4,7-8,12,19H,3,5-6,9-10H2,1-2H3;1-4H,(H2,6,7);2*1H/t12-,17-;;;/m1.../s1
• InChIKey: RCQBRJXXHJPFEW-AURSVBPGSA-N

Properties

• Boiling point: 461.2°C at 760 mmHg (Cal.)
• Flash point: 232.7°C (Cal.)