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CAS No.: | 18292-94-9 |
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Name: | N-(furan-2-ylmethyl)pteridin-4-amine |
Molecular Structure: | |
Formula: | C11H9N5O |
Molecular Weight: | 227.225 |
Synonyms: | Pteridine,4-(furfurylamino)- (6CI,8CI);4-Furfurylaminopteridine;NSC 44320; |
Density: | 1.425 g/cm3 |
Boiling Point: | 409.3 °C at 760 mmHg |
Flash Point: | 201.3 °C |
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This chemical is called 4-Pteridinamine, N-(2-furanylmethyl)-, and its IUPAC name is N-(furan-2-ylmethyl)pteridin-4-amine. With the molecular formula of C11H9N5O, its molecular weight is 227.22. The CAS registry number of this chemical is 18292-94-9.
Other characteristics of the 4-Pteridinamine, N-(2-furanylmethyl)- can be summarised as followings: (1)ACD/LogP: -1.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 67.94 Å2; (7)Index of Refraction: 1.718; (8)Molar Refractivity: 62.85 cm3; (9)Molar Volume: 159.3 cm3; (10)Polarizability: 24.91×10-24cm3; (11)Surface Tension: 77.3 dyne/cm; (12)Density: 1.425 g/cm3; (13)Flash Point: 201.3 °C; (14)Enthalpy of Vaporization: 66.14 kJ/mol; (15)Boiling Point: 409.3 °C at 760 mmHg; (16)Vapour Pressure: 6.58E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n2c(NCc1occc1)c3nccnc3nc2
2.InChI: InChI=1/C11H9N5O/c1-2-8(17-5-1)6-14-11-9-10(15-7-16-11)13-4-3-12-9/h1-5,7H,6H2,(H,13,14,15,16)
3.InChIKey: WTADAUIERWGDIA-UHFFFAOYAV