6H-Purin-6-one, 9-[[2-(acetyloxy)ethoxy]methyl]-2-amino-1, 9-dihydro- supplier

Name
9-(2'-ACETOXYETHOXYMETHYL)-GUANINE
EINECS 604-604-1
CAS No. 102728-64-3
Article Data3
CAS DataBase
Density 1.61 g/cm³
Solubility
Melting Point 242-244°C (dec.)
Formula C₁₀H₁₃N₅O₄
Boiling Point 565.4 °C at 760 mmHg
Molecular Weight 267.244
Flash Point 295.7 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 68
Molecular Structure
Hazard Symbols Xn
Synonyms 9-(2-Acetoxyethoxymethyl)guanine;2-[(2-Amino-6-oxo-1, 6-dihydro-9H-purin-9-yl)methoxy]ethyl acetate;
PSA 125.12000
LogP -0.17980

6H-Purin-6-one, 9-[[2-(acetyloxy)ethoxy]methyl]-2-amino-1, 9-dihydro- Specification

The 6H-Purin-6-one, 9-[[2-(acetyloxy)ethoxy]methyl]-2-amino-1, 9-dihydro-, with the CAS registry number 102728-64-3, is also known as 2-[(2-Amino-6-oxo-1, 6-dihydro-9H-purin-9-yl)methoxy]ethyl acetate. This chemical's molecular formula is C₁₀H₁₃N₅O₄ and molecular weight is 267.24. What's more, its systematic name is 2-[(2-Amino-6-oxo-3, 6-dihydro-9H-purin-9-yl)methoxy]ethyl acetate.

Physical properties about 6H-Purin-6-one, 9-[[2-(acetyloxy)ethoxy]methyl]-2-amino-1, 9-dihydro- are: (1)ACD/LogP: -1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -1.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.98; (8)ACD/KOC (pH 7.4): 6.01; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 89.26 Å²; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 62.86 cm³; (15)Molar Volume: 165 cm³; (16)Polarizability: 24.92×10^-24 cm³; (17)Surface Tension: 67.8 dyne/cm; (18)Density: 1.61 g/cm³; (19)Flash Point: 295.7 °C; (20)Enthalpy of Vaporization: 84.92 kJ/mol; (21)Boiling Point: 565.4 °C at 760 mmHg; (22)Vapour Pressure: 8.36E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCOCn1c2N\C(=N/C(=O)c2nc1)N)C
(2) InChI: InChI=1/C10H13N5O4/c1-6(16)19-3-2-18-5-15-4-12-7-8(15)13-10(11)14-9(7)17/h4H,2-3,5H2,1H3,(H3,11,13,14,17)
(3) InChIKey: DMHAXLGAKQREIL-UHFFFAOYAF

Product Name

9-(2'-ACETOXYETHOXYMETHYL)-GUANINE

6H-Purin-6-one, 9-[[2-(acetyloxy)ethoxy]methyl]-2-amino-1, 9-dihydro- Specification

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