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5470-51-9

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Basic Information
CAS No.: 5470-51-9
Name: N-ethyl-7-methyl-7H-purin-6-amine
Article Data: 2
Molecular Structure:
Molecular Structure of 5470-51-9 (N-ethyl-7-methyl-7H-purin-6-amine)
Formula: C8H11N5
Molecular Weight: 177.209
Synonyms: NSC 27609;Ethyl-(7-methyl-7H-purin-6-yl)-amine;N-Ethyl-7-methyl-7H-purin-6-amine;
Density: 1.34 g/cm3
Boiling Point: 373.7 °C at 760 mmHg
Flash Point: 179.8 °C
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Specification

The 7H-Purin-6-amine,N-ethyl-7-methyl-, with the CAS registry number 5470-51-9, is also known as Ethyl-(7-methyl-7H-purin-6-yl)-amine. This chemical's molecular formula is C8H11N5 and molecular weight is 177.21. What's more, its systematic name is N-Ethyl-7-methyl-7H-purin-6-amine.

Physical properties of 7H-Purin-6-amine,N-ethyl-7-methyl- are: (1)ACD/LogP: -0.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 46.84 Å2; (7)Index of Refraction: 1.682; (8)Molar Refractivity: 50.11 cm3; (9)Molar Volume: 132.2 cm3; (10)Polarizability: 19.86×10-24 cm3; (11)Surface Tension: 50.1 dyne/cm; (12)Density: 1.34 g/cm3; (13)Flash Point: 179.8 °C; (14)Enthalpy of Vaporization: 62.1 kJ/mol; (15)Boiling Point: 373.7 °C at 760 mmHg; (16)Vapour Pressure: 8.8E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 9-ethyl-7-methyladeninium iodide by heating. This reaction will need reagent 1N NaOH with the reaction time of 60 hours.The yield is about 55%.

7H-Purin-6-amine,N-ethyl-7-methyl- can be prepared by 9-ethyl-7-methyladeninium iodide by heating

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c2c(nc1)ncn2C)NCC
(2)InChI: InChI=1S/C8H11N5/c1-3-9-7-6-8(11-4-10-7)12-5-13(6)2/h4-5H,3H2,1-2H3,(H,9,10,11)
(3)InChIKey: MEXWNHMQEFVEFC-UHFFFAOYSA-N