1-{4-[4-(3,4-Dichlorophenyl)-1-piperazinyl]butyl}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione dihydrochloride
[CAS# 87798-91-2]

Identification

• Name: 1-{4-[4-(3,4-Dichlorophenyl)-1-piperazinyl]butyl}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione dihydrochloride
• Synonyms: 1-(4-(4-(3,4-Dichlorophenyl)-piperazinyl-(1))-n-butyl)-theobromin dihydrochlorid; 1-(4-(4-(3,4-Dichlorophenyl)-piperazinyl)butyl)theobromine dihydrochloride; Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride
• Molecular Formula: C₂₁H₂₈Cl₄N₆O₂
• Molecular Weight: 538.30
• CAS Registry Number: 87798-91-2
• SMILES: Cl.Cl.Clc4ccc(N3CCN(CCCCN2C(=O)c1n(cnc1N(C2=O)C)C)CC3)cc4Cl
• InChI: 1S/C21H26Cl2N6O2.2ClH/c1-25-14-24-19-18(25)20(30)29(21(31)26(19)2)8-4-3-7-27-9-11-28(12-10-27)15-5-6-16(22)17(23)13-15;;/h5-6,13-14H,3-4,7-12H2,1-2H3;2*1H
• InChIKey: SUESOFANXKSRDF-UHFFFAOYSA-N

Properties

• Boiling point: 674.9°C at 760 mmHg (Cal.)
• Flash point: 362°C (Cal.)