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9H-Purin-2-amine,6-(2-propen-1-yloxy)-

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Name

9H-Purin-2-amine,6-(2-propen-1-yloxy)-

EINECS
CAS No. 50663-54-2 Density 1.406 g/cm3
Solubility Melting Point
Formula C8H9N5O Boiling Point 579.6 °C at 760 mmHg
Molecular Weight 191.19 Flash Point 304.4 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 50663-54-2 (9H-Purin-2-amine,6-(2-propen-1-yloxy)-) Hazard Symbols
Synonyms

1H-Purin-2-amine,6-(2-propenyloxy)- (9CI);2-Amino-6-(allyloxy)purine;NU 2028;O6-Allylguanine;

 

9H-Purin-2-amine,6-(2-propen-1-yloxy)- Specification

The CAS register number of 9H-Purin-2-amine,6-(2-propen-1-yloxy)- is 50663-54-2. It also can be called as 2-Amino-6-(allyloxy)purine and the IUPAC name about this chemical is 6-prop-2-enoxy-7H-purin-2-amine. The molecular formula about this chemical is C8H9N5O and the molecular weight is 191.19.

Physical properties about 9H-Purin-2-amine,6-(2-propen-1-yloxy)- are: (1)ACD/LogP: 0.20; (2)ACD/LogD (pH 5.5): 0.08; (3)ACD/LogD (pH 7.4): 0.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 23.4; (7)ACD/KOC (pH 7.4): 30.32; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 56.07 Å2; (12)Index of Refraction: 1.702; (13)Molar Refractivity: 52.7 cm3; (14)Molar Volume: 135.9 cm3; (15)Polarizability: 20.89x10-24cm3; (16)Surface Tension: 78.2 dyne/cm; (17)Density: 1.406 g/cm3; (18)Flash Point: 304.4 °C; (19)Enthalpy of Vaporization: 86.72 kJ/mol; (20)Boiling Point: 579.6 °C at 760 mmHg; (21)Vapour Pressure: 1.97E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(OC\C=C)c2c(nc1N)ncn2
(2)InChI: InChI=1/C8H9N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h2,4H,1,3H2,(H3,9,10,11,12,13)
(3)InChIKey: HJMGFQNIHIHSCQ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H9N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h2,4H,1,3H2,(H3,9,10,11,12,13)
(5)Std. InChIKey: HJMGFQNIHIHSCQ-UHFFFAOYSA-N

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