CAS No.17318-31-9,SQ 22,536 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	17318-31-9
Name:	SQ 22,536
Article Data:	6

Formula:	C₉H₁₁N₅O
Molecular Weight:	205.219
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;
EINECS:	633-987-7
Density:	1.7 g/cm³
Melting Point:	160-161 °C
Boiling Point:	474.8 °C at 760 mmHg
Flash Point:	241 °C
Solubility:	Soluble in DMSO or water
Appearance:	White to off-white solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	78.85000
LogP:	1.29870

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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