4-(3-(Dimethylamino)-1-Phenylpropyl)-1-Piperazinepropanol (Z)-2-Butenedioate (1:3)
[CAS# 81402-38-2]

Identification

• Name: 4-(3-(Dimethylamino)-1-Phenylpropyl)-1-Piperazinepropanol (Z)-2-Butenedioate (1:3)
• Synonyms: But-2-Enedioic Acid; 3-[4-(3-Dimethylamino-1-Phenyl-Propyl)Piperazin-1-Yl]Propan-1-Ol; But-2-Enedioic Acid; 3-[4-(3-Dimethylamino-1-Phenylpropyl)-1-Piperazinyl]Propan-1-Ol; 1-Piperazinepropanol, 4-(3-(Dimethylamino)-1-Phenylpropyl)-, (Z)-2-Butenedioate (1:3)
• Molecular Formula: C₃₀H₄₃N₃O₁₃
• Molecular Weight: 653.68
• CAS Registry Number: 81402-38-2
• SMILES: C2=C(C(N1CCN(CC1)CCCO)CCN(C)C)C=CC=C2.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C18H31N3O.3C4H4O4/c1-19(2)11-9-18(17-7-4-3-5-8-17)21-14-12-20(13-15-21)10-6-16-22;3*5-3(6)1-2-4(7)8/h3-5,7-8,18,22H,6,9-16H2,1-2H3;3*1-2H,(H,5,6)(H,7,8)/b;3*2-1+
• InChIKey: UONNCAGRWOKDSN-LDFLFNBESA-N

Properties

• Boiling point: 427.3°C at 760 mmHg (Cal.)
• Flash point: 190.9°C (Cal.)