1-(3-(Dimethylamino)Propionyl)-4-Phenyl-4-Piperidinecarboxaldehyde Picrate
[CAS# 101123-68-6]

Identification

• Name: 1-(3-(Dimethylamino)Propionyl)-4-Phenyl-4-Piperidinecarboxaldehyde Picrate
• Synonyms: 1-[(2S)-2-Dimethylaminopropanoyl]-4-Phenyl-Piperidine-4-Carbaldehyde; Picric Acid; 1-[(2S)-2-Dimethylamino-1-Oxopropyl]-4-Phenyl-4-Piperidinecarboxaldehyde; Picric Acid; 1-[(2S)-2-Dimethylaminopropanoyl]-4-Phenyl-Isonipecotaldehyde; Picric Acid
• Molecular Formula: C₂₃H₂₇N₅O₉
• Molecular Weight: 517.49
• CAS Registry Number: 101123-68-6
• SMILES: [C@@H](N(C)C)(C(=O)N2CCC(C1=CC=CC=C1)(CC2)C=O)C.C3=C([N+]([O-])=O)C=C([N+]([O-])=O)C(=C3[N+]([O-])=O)O
• InChI: 1S/C17H24N2O2.C6H3N3O7/c1-14(18(2)3)16(21)19-11-9-17(13-20,10-12-19)15-7-5-4-6-8-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8,13-14H,9-12H2,1-3H3;1-2,10H/t14-;/m0./s1
• InChIKey: DIQBHGOTFOOJQM-UQKRIMTDSA-N

Properties

• Boiling point: 434.3°C at 760 mmHg (Cal.)
• Flash point: 182.6°C (Cal.)