Fenethylline

The 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-[2-[(1-methyl-2-phenylethyl)amino]ethyl]- is an organic compound with the formula C₁₈H₂₃N₅O₂. The IUPAC name of this chemical is 1,3-Dimethyl-7-[2-(1-phenylpropan-2-ylamino)ethyl]purine-2,6-dione. With the CAS registry number 3736-08-1, it is also named as 3,7-Dihydro-1,3-dimethyl-7-[2-[(1-methyl-2-phenylethyl)amino]ethyl]-1H-purine-2,6-dione. Besides, its molecular weight is 341.413.

The physical properties of 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-[2-[(1-methyl-2-phenylethyl)amino]ethyl]- are: (1)ACD/LogP: 1.91; (2)ACD/LogD (pH 5.5): -1.12; (3)ACD/LogD (pH 7.4): -0.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.14; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 61.68 Å²; (12)Index of Refraction: 1.635; (13)Molar Refractivity: 96.97 cm³; (14)Molar Volume: 270.5 cm³; (15)Polarizability: 38.44×10^-24 cm³; (16)Surface Tension: 48.9 dyne/cm; (17)Density: 1.26 g/cm³; (18)Flash Point: 294.8 °C; (19)Enthalpy of Vaporization: 84.72 kJ/mol; (20)Boiling Point: 563.8 °C at 760 mmHg; (21)Vapour Pressure: 9.8E-13 mmHg at 25 °C.

Uses of 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-[2-[(1-methyl-2-phenylethyl)amino]ethyl]-: it can be used to produce 5-(1,3-Dimethylureido)-3-[2-(1-methyl-2-phenylethylamino)-ethyl]-ethyl-3H-imidazol-4-carbonsaeure at temperature of 60 - 70 °C. It will need reagent 1 N aq. NaOH. The yield is about 51%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(c1ncn(c1C(=O)N2C)CCNC(C)Cc3ccccc3)C
(2)InChI: InChI=1/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3
(3)InChIKey: NMCHYWGKBADVMK-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3
(5)Std. InChIKey: NMCHYWGKBADVMK-UHFFFAOYSA-N

The toxicity data is as follows: