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21869-84-1

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Basic Information
CAS No.: 21869-84-1
Name: 7-allyl-2-amino-1H-purin-6(7H)-one
Article Data: 8
Molecular Structure:
Molecular Structure of 21869-84-1 (7-allyl-2-amino-1H-purin-6(7H)-one)
Formula: C8H9N5O
Molecular Weight: 191.19
Synonyms: 7-allylguanine;7-allyl-2-amino-1,7-dihydro-purin-6-one;2-amino-7-(prop-2-en-1-yl)-3,7-dihydro-6H-purin-6-one;7-(2-Propenyl)guanin;2-amino-7-(2-propen-1-yl)-1,7-dihydro-6H-purin-6-one;
Density: 1.56 g/cm3
Boiling Point: 485.4 °C at 760 mmHg
Flash Point: 247.4 °C
PSA: 90.58000
LogP: 0.23020
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    6H-Purin-6-one,2-amino-1,7-dihydro-7-(2-propen-1-yl)-

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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

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  • 6H-Purin-6-one,2-amino-1,7-dihydro-7-(2-propen-1-yl)-

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    6H-Purin-6-one,2-amino-1,7-dihydro-7-(2-propen-1-yl)-

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Specification

The 6H-Purin-6-one, 2-amino-1, 7-dihydro-7-(2-propen-1-yl)-, has the CAS registry number 21869-84-1. This chemical's molecular formula is C8H9N5O and molecular weight is 191.19. What's more, its IUPAC name is 2-Amino-7-prop-2-enyl-3H-purin-6-one. 

Physical properties about 6H-Purin-6-one, 2-amino-1, 7-dihydro-7-(2-propen-1-yl)- are: (1)ACD/LogP: -0.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 53.73 Å2; (7)Index of Refraction: 1.752; (8)Molar Refractivity: 50.01 cm3; (9)Molar Volume: 122.4 cm3; (10)Polarizability: 19.82×10-24 cm3; (11)Surface Tension: 68.5 dyne/cm; (12)Density: 1.56 g/cm3; (13)Flash Point: 247.4 °C; (14)Enthalpy of Vaporization: 75.09 kJ/mol; (15)Boiling Point: 485.4 °C at 760 mmHg; (16)Vapour Pressure: 1.41E-09 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: O=C2/N=C(\Nc1ncn(c12)C\C=C)N
(2) InChI: InChI=1/C8H9N5O/c1-2-3-13-4-10-6-5(13)7(14)12-8(9)11-6/h2,4H,1,3H2,(H3,9,11,12,14)
(3) InChIKey: JLXNWMULWUSNNZ-UHFFFAOYAP