CAS No.4294-16-0,N6-BENZYLADENOSINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4294-16-0
Name:	N6-BENZYLADENOSINE
Article Data:	46

Formula:	C₁₇H₁₉N₅O₄
Molecular Weight:	357.369
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;
EINECS:	224-298-9
Density:	1.62 g/cm³
Melting Point:	184-186 °C
Boiling Point:	689.3 °C at 760 mmHg
Flash Point:	370.7 °C
Appearance:	white solid
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	22-24/25
PSA:	125.55000
LogP:	0.12290

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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