9H-Purin-6-amine,9-(tetrahydro-2-furanyl)- supplier

Name
SQ 22,536
EINECS 633-987-7
CAS No. 17318-31-9
Article Data6
CAS DataBase
Density 1.7 g/cm³
Solubility Soluble in DMSO or water
Melting Point 160-161 °C
Formula C₉H₁₁N₅O
Boiling Point 474.8 °C at 760 mmHg
Molecular Weight 205.219
Flash Point 241 °C
Transport Information
Appearance White to off-white solid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Adenine,9-(tetrahydro-2-furyl)- (7CI,8CI);9-(Tetrahydro-2-furyl)adenine;NSC 53339;SQ 22536;Tetrahydrofuryl-9-adenine;9-(Tetrahydrofuran-2-yl)-9H-purin-6-amine;9-(2-Tetrahydrofuryl)adenine;9-(Oxolan-2-yl)purin-6-amine;
PSA 78.85000
LogP 1.29870

9H-Purin-6-amine,9-(tetrahydro-2-furanyl)- Specification

The 9H-Purin-6-amine,9-(tetrahydro-2-furanyl)-, with the CAS registry number 17318-31-9, is also known as 9-(2-Tetrahydrofuryl)adenine. This chemical's molecular formula is C₉H₁₁N₅O and molecular weight is 205.22. What's more, its systematic name is 9-(Tetrahydrofuran-2-yl)-9H-purin-6-amine and its classification code is Enzyme inhibitors. Besides, its storage temperature is 0-6 °C.

Physical properties of 9H-Purin-6-amine,9-(tetrahydro-2-furanyl)- are: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): -0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.93; (8)ACD/KOC (pH 7.4): 19.21; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 56.07 Å²; (13)Index of Refraction: 1.83; (14)Molar Refractivity: 52.79 cm³; (15)Molar Volume: 120.1 cm³; (16)Polarizability: 20.92×10^-24cm³; (17)Surface Tension: 78 dyne/cm; (18)Density: 1.7 g/cm³; (19)Flash Point: 241 °C; (20)Enthalpy of Vaporization: 73.83 kJ/mol; (21)Boiling Point: 474.8 °C at 760 mmHg; (22)Vapour Pressure: 3.49E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(OC1)N2C=NC3=C2N=CN=C3N
(2)InChI: InChI=1S/C9H11N5O/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-15-6/h4-6H,1-3H2,(H2,10,11,12)
(3)InChIKey: UKHMZCMKHPHFOT-UHFFFAOYSA-N

Product Name

SQ 22,536

9H-Purin-6-amine,9-(tetrahydro-2-furanyl)- Specification

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