1,2,3,4-Tetrahydro-beta-Carboline-1-Carboxylic Acid
[CAS# 6649-91-8]

Identification

• Name: 1,2,3,4-Tetrahydro-beta-Carboline-1-Carboxylic Acid
• Synonyms: [4-[(E)-[2-(4-Nitrophenoxy)Propanoylhydrazinylidene]Methyl]Phenyl] (E)-3-Phenylprop-2-Enoate; [4-[(E)-[2-(4-Nitrophenoxy)Propanoylhydrazono]Methyl]Phenyl] (E)-3-Phenylprop-2-Enoate; [4-[[2-(4-Nitrophenoxy)Propanoylhydrazono]Methyl]Phenyl] 3-Phenylprop-2-Enoate
• Molecular Formula: C₂₅H₂₁N₃O₆
• Molecular Weight: 459.46
• CAS Registry Number: 6649-91-8
• SMILES: C3=C(OC(C)C(=O)N\N=C\C2=CC=C(OC(=O)/C=C/C1=CC=CC=C1)C=C2)C=CC(=C3)[N+]([O-])=O
• InChI: 1S/C25H21N3O6/c1-18(33-22-14-10-21(11-15-22)28(31)32)25(30)27-26-17-20-7-12-23(13-8-20)34-24(29)16-9-19-5-3-2-4-6-19/h2-18H,1H3,(H,27,30)/b16-9+,26-17+
• InChIKey: YDYRESUNYVUFSX-JCTFGKRLSA-N

Properties

• Density: 1.24g/cm³ (Cal.)