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53296-10-9

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Basic Information
CAS No.: 53296-10-9
Name: 2-PHENYLAMINOADENOSINE
Article Data: 1
Molecular Structure:
Molecular Structure of 53296-10-9 (2-PHENYLAMINOADENOSINE)
Formula: C16H18N6O4
Molecular Weight: 358.357
Synonyms: 2-Phenylaminoadenosine;CV 1808;LSU 165;
Density: 1.78 g/cm3
Melting Point: 210-212°C
Boiling Point: 766 °C at 760 mmHg
Flash Point: 417.1 °C
Appearance: off-white to pale yellow solid
PSA: 151.57000
LogP: 0.41780
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Specification

This chemical is called Adenosine, 2-(phenylamino)-, and its systematic name is 9-pentofuranosyl-N2-phenyl-9H-purine-2,6-diamine. With the classification codes Cardiovascular Agents; Vasodilator agents, its product categories are Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; Adenosine Receptor. The CAS registry number of this chemical is 53296-10-9. In addition, keep this chemical in the cool and dry place where the room is ventilated.

Other characteristics of the Adenosine, 2-(phenylamino)- can be summarised as followings: (1)ACD/LogP: -1.13; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.28; (4)ACD/LogD (pH 7.4): -1.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.05; (8)ACD/KOC (pH 7.4): 5.77; (9)#H bond acceptors: 10; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 87 Å2; (13)Index of Refraction: 1.829; (14)Molar Refractivity: 88.11 cm3; (15)Molar Volume: 200.8 cm3; (16)Polarizability: 34.93×10-24cm3; (17)Surface Tension: 84.8 dyne/cm; (18)Density: 1.78 g/cm3; (19)Flash Point: 417.1 °C; (20)Enthalpy of Vaporization: 117.02 kJ/mol; (21)Boiling Point: 766 °C at 760 mmHg; (22)Vapour Pressure: 1.13E-24 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: n2c1c(nc(nc1n(c2)C3OC(C(O)C3O)CO)Nc4ccccc4)N
2.InChI: InChI=1/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21) 3.InChIKey: SCNILGOVBBRMBK-UHFFFAOYAQ