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6-Benzylaminopurine riboside

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Name

6-Benzylaminopurine riboside

EINECS 224-298-9
CAS No. 4294-16-0 Density 1.62 g/cm3
PSA 125.55000 LogP 0.12290
Solubility N/A Melting Point 184-186 °C
Formula C17H19N5O4 Boiling Point 689.3 °C at 760 mmHg
Molecular Weight 357.369 Flash Point 370.7 °C
Transport Information N/A Appearance white solid
Safety 22-24/25 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 4294-16-0 (N6-BENZYLADENOSINE) Hazard Symbols Xn
Synonyms

Adenosine,N-benzyl- (6CI,7CI,8CI);6-(Benzylamino)-9-b-D-ribofuranosylpurine;6-(Benzylamino)purine 9-b-ribofuranoside;6-(Benzylamino)purineriboside;6-Benzyladenosine;9-b-D-Ribofuranosyl-6-benzyladenine;Benzyladenine riboside;Benzyladenosine;N-Benzyladenosine;N6-Benzyladenine 9-riboside;N6-Benzyladenosine;NSC 70423;

Article Data 46

6-Benzylaminopurine riboside Specification

The 6-Benzylaminopurine riboside, with the CAS registry number 4294-16-0 and EINECS registry number 224-298-9, has the systematic name of N-benzyladenosine. It belongs to the following product categories: All Inhibitors; Bases & Related Reagents; Nucleotides; Inhibitors; Nucleosides; Oligonucleotide Synthesis; Specialty Synthesis. And the molecular formula of the chemical is C17H19N5O4. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of 6-Benzylaminopurine riboside are as followings: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.47; (4)ACD/LogD (pH 7.4): -0.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.13; (8)ACD/KOC (pH 7.4): 13.36; (9)#H bond acceptors: 9; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 83.76 Å2; (13)Index of Refraction: 1.762; (14)Molar Refractivity: 90.81 cm3; (15)Molar Volume: 220.1 cm3; (16)Polarizability: 36×10-24cm3; (17)Surface Tension: 71.8 dyne/cm; (18)Density: 1.62 g/cm3; (19)Flash Point: 370.7 °C; (20)Enthalpy of Vaporization: 106.11 kJ/mol; (21)Boiling Point: 689.3 °C at 760 mmHg; (22)Vapour Pressure: 6E-20 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n3c1c(ncnc1NCc2ccccc2)n(c3)[C@@H]4O[C@@H]([C@@H](O)[C@H]4O)CO
(2)InChI: InChI=1/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
(3)InChIKey: MRPKNNSABYPGBF-LSCFUAHRBS

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