Molecular Structure of 1-(2,4-Dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine (CAS NO.852313-96-3):
Systematic Name: 1-(2,4-Dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Molecular Formula: C13H13N5
Molecular Weight; 239.28
CAS Registry Number: 852313-96-3
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 1
Index of Refraction: 1.717
Molar Refractivity: 69.47 cm3
Molar Volume: 176.3 cm3
Surface Tension: 53.7 dyne/cm
Density: 1.35 g/cm3
Flash Point: 188.5 °C
Enthalpy of Vaporization: 63.72 kJ/mol
Boiling Point: 388.1 °C at 760 mmHg
Vapour Pressure: 3.14E-06 mmHg at 25 °C
SMILES: n1c(c2c(nc1)n(nc2)c3ccc(cc3C)C)N
InChI: InChI=1/C13H13N5/c1-8-3-4-11(9(2)5-8)18-13-10(6-17-18)12(14)15-7-16-13/h3-7H,1-2H3,(H2,14,15,16)InChIKey: VLXVHLDGHFSZHA-UHFFFAOYAW
1-(2,4-Dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine (CAS NO.852313-96-3), its Synonym is 1-(2,4-Dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine .
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