Ethyl (6-amino-9H-purin-9-yl)acetate supplier

Name
ETHYL ADENINE-9-ACETATE
EINECS
CAS No. 25477-96-7
Article Data28
CAS DataBase
Density 1.524 g/cm³
Solubility
Melting Point 224-228 °C (dec.)(lit.)
Formula C₉H₁₁N₅O₂
Boiling Point 443.124 °C at 760 mmHg
Molecular Weight 221.219
Flash Point 221.794 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 9-(Carboxymethyl)adenineethyl ester;9-Adenineacetic acid ethyl ester;Ethyl 9-adeninylacetate;Ethyladenine-9-acetate;
PSA 95.92000
LogP 0.55280

Ethyl (6-amino-9H-purin-9-yl)acetate Specification

This chemical is called Ethyl (6-amino-9H-purin-9-yl)acetate, and its CAS registry number is 25477-96-7. With the molecular formula of C₉H₁₁N₅O₂, its molecular weight is 221.22. In addition, this chemical should be sealed in the cool and dry plcace.

Other characteristics of the Ethyl (6-amino-9H-purin-9-yl)acetate can be summarised as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.044; (5)ACD/BCF (pH 5.5): 3.541; (6)ACD/BCF (pH 7.4): 3.662; (7)ACD/KOC (pH 5.5): 85.221; (8)ACD/KOC (pH 7.4): 88.117; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 95.92 Å²; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 56.011 cm³; (15)Molar Volume: 145.119 cm³; (16)Polarizability: 22.204×10^-24cm³; (17)Surface Tension: 63.797 dyne/cm; (18)Density: 1.524 g/cm³; (19)Flash Point: 221.794 °C; (20)Enthalpy of Vaporization: 70.071 kJ/mol; (21)Boiling Point: 443.124 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of this chemical: The Hydrazide of Adenylyl-9-acetic Acid could be obtained by the reactant of Ethyl (6-amino-9H-purin-9-yl)acetate. This reaction needs the reagent of H₂NNH₂*H₂O, and the solvent of ethanol. The yield is 96 %. This reaction should be taken for 3 hours at the ambient temperature.

You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)Cn1cnc2c1ncnc2N
2.InChI: InChI=1/C9H11N5O2/c1-2-16-6(15)3-14-5-13-7-8(10)11-4-12-9(7)14/h4-5H,2-3H2,1H3,(H2,10,11,12)
3.InChIKey: MCOVDURKZQNFBE-UHFFFAOYAM

Product Name

ETHYL ADENINE-9-ACETATE

Ethyl (6-amino-9H-purin-9-yl)acetate Specification

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