Products Categories
CAS No.: | 25477-96-7 |
---|---|
Name: | ETHYL ADENINE-9-ACETATE |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C9H11N5O2 |
Molecular Weight: | 221.219 |
Synonyms: | 9-(Carboxymethyl)adenineethyl ester;9-Adenineacetic acid ethyl ester;Ethyl 9-adeninylacetate;Ethyladenine-9-acetate; |
Density: | 1.524 g/cm3 |
Melting Point: | 224-228 °C (dec.)(lit.) |
Boiling Point: | 443.124 °C at 760 mmHg |
Flash Point: | 221.794 °C |
PSA: | 95.92000 |
LogP: | 0.55280 |
What can I do for you?
Get Best Price
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