7-Propyltheophylline Dopamine
[CAS# 71201-33-7]

Identification

• Name: 7-Propyltheophylline Dopamine
• Synonyms: 7-[3-[2-(3,4-Dihydroxyphenyl)Ethylamino]Propyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[3-[2-(3,4-Dihydroxyphenyl)Ethylamino]Propyl]-1,3-Dimethyl-Xanthine; 1H-Purine-2,6-Dione, 7-(3-((2-(3,4-Dihydroxyphenyl)Ethyl)Amino)Propyl)-3,7-Dihydro-1,3-Dimethyl-
• Molecular Formula: C₁₈H₂₃N₅O₄
• Molecular Weight: 373.41
• CAS Registry Number: 71201-33-7
• SMILES: C1=NC3=C([N]1CCCNCCC2=CC=C(O)C(=C2)O)C(=O)N(C(=O)N3C)C
• InChI: 1S/C18H23N5O4/c1-21-16-15(17(26)22(2)18(21)27)23(11-20-16)9-3-7-19-8-6-12-4-5-13(24)14(25)10-12/h4-5,10-11,19,24-25H,3,6-9H2,1-2H3
• InChIKey: PTKBXZQSYDMMLK-UHFFFAOYSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 671.232°C at 760 mmHg (Cal.)
• Flash point: 359.748°C (Cal.)