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CAS No.: | 30146-30-6 |
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Name: | 7-(2-Methylphenyl)pteridin-4-amine |
Molecular Structure: | |
Formula: | C13H11N5 |
Molecular Weight: | 237.264 |
Synonyms: | 4-Pteridinamine, 7-(2-methylphenyl)-; |
Density: | 1.316 g/cm3 |
Boiling Point: | 438.3 °C at 760 mmHg |
Flash Point: | 249 °C |
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The 7-(2-Methylphenyl)pteridin-4-amine, with the CAS registry number 30146-30-6, is also known as 4-Pteridinamine, 7-(2-methylphenyl)-. This chemical's molecular formula is C13H11N5 and molecular weight is 237.2599. What's more, its IUPAC name is 7-(2-Methylphenyl)pteridin-4-amine.
Physical properties about 7-(2-Methylphenyl)pteridin-4-amine are: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 54.8 Å2; (7)Index of Refraction: 1.705; (8)Molar Refractivity: 70.11 cm3; (9)Molar Volume: 180.2 cm3; (10)Polarizability: 27.79×10-24 cm3; (11)Surface Tension: 71.6 dyne/cm; (12)Density: 1.316 g/cm3; (13)Flash Point: 249 °C; (14)Enthalpy of Vaporization: 69.51 kJ/mol; (15)Boiling Point: 438.3 °C at 760 mmHg; (16)Vapour Pressure: 6.95E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1c3c(nc(c1)c2ccccc2C)ncnc3N
(2) InChI: InChI=1/C13H11N5/c1-8-4-2-3-5-9(8)10-6-15-11-12(14)16-7-17-13(11)18-10/h2-7H,1H3,(H2,14,16,17,18)
(3) InChIKey: RYYKKPVXXZJWEG-UHFFFAOYAG