1-[2-(4-Aminophenyl)Ethyl]-8-(Dicyclopropylmethyl)-3-Propyl-7H-Purine-2,6-Dione
[CAS# 149741-45-7]

Identification

• Name: 1-[2-(4-Aminophenyl)Ethyl]-8-(Dicyclopropylmethyl)-3-Propyl-7H-Purine-2,6-Dione
• Synonyms: 1-[2-(4-Aminophenyl)Ethyl]-8-(Dicyclopropylmethyl)-3-Propyl-7H-Purine-2,6-Quinone; 1-(4-Aminophenethyl)-8-Dicyclopropylmethyl-1-Propylxanthine; 1H-Purine-2,6-Dione, 3,7-Dihydro-1-(2-(4-Aminophenyl)Ethyl)-8-(Dicyclopropylmethyl)-1-Propyl-
• Molecular Formula: C₂₃H₂₉N₅O₂
• Molecular Weight: 407.51
• CAS Registry Number: 149741-45-7
• SMILES: C1=CC(=CC=C1CCN5C(C4=C(N=C(C(C2CC2)C3CC3)[NH]4)N(C5=O)CCC)=O)N
• InChI: 1S/C23H29N5O2/c1-2-12-27-21-19(25-20(26-21)18(15-5-6-15)16-7-8-16)22(29)28(23(27)30)13-11-14-3-9-17(24)10-4-14/h3-4,9-10,15-16,18H,2,5-8,11-13,24H2,1H3,(H,25,26)
• InChIKey: ASIJQMUMQMVUCZ-UHFFFAOYSA-N

Properties

• Density: 1.331g/cm³ (Cal.)
• Boiling point: 678.467°C at 760 mmHg (Cal.)
• Flash point: 364.124°C (Cal.)