Alprenolol-Nbd
[CAS# 98496-22-1]

Identification

• Name: Alprenolol-Nbd
• Synonyms: 1-(2-Allylphenoxy)-3-[[2-Methyl-2-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Propyl]Amino]Propan-2-Ol; 1-(2-Allylphenoxy)-3-[[2-Methyl-2-[(7-Nitrobenzofurazan-4-Yl)Amino]Propyl]Amino]Propan-2-Ol; 2-Propanol, 1-((2-Methyl-2-((7-Nitro-4-Benzofurazanyl)Amino)Pro
• Molecular Formula: C₂₂H₂₇N₅O₅
• Molecular Weight: 441.49
• CAS Registry Number: 98496-22-1
• SMILES: C3=C(NC(CNCC(O)COC1=C(C=CC=C1)CC=C)(C)C)C2=NON=C2C(=C3)[N+]([O-])=O
• InChI: 1S/C22H27N5O5/c1-4-7-15-8-5-6-9-19(15)31-13-16(28)12-23-14-22(2,3)24-17-10-11-18(27(29)30)21-20(17)25-32-26-21/h4-6,8-11,16,23-24,28H,1,7,12-14H2,2-3H3
• InChIKey: KQHAFFYCWJNDNM-UHFFFAOYSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 642.093°C at 760 mmHg (Cal.)
• Flash point: 342.126°C (Cal.)