Ethanol,2,2'-[[2-[2-amino-6-(methylthio)-9H-purin-9-yl]ethyl]imino]di- (8CI) supplier

Name
Ethanol,2,2'-[[2-[2-amino-6-(methylthio)-9H-purin-9-yl]ethyl]imino]di- (8CI)
EINECS
CAS No. 23199-30-6
Density 1.49 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₀N₆O₂S
Boiling Point 644.5 °C at 760 mmHg
Molecular Weight 312.3912
Flash Point 343.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 98687;
PSA
LogP

Ethanol,2,2'-[[2-[2-amino-6-(methylthio)-9H-purin-9-yl]ethyl]imino]di- (8CI) Specification

The Ethanol,2,2'-[[2-[2-amino-6-(methylthio)-9H-purin-9-yl]ethyl]imino]di- (8CI) is an organic compound with the formula C₁₂H₂₀N₆O₂S. The IUPAC name of this chemical is 2-[2-(2-amino-6-methylsulfanylpurin-9-yl)ethyl-(2-hydroxyethyl)amino]ethanol. With the CAS registry number 23199-30-6, it is also named as 2,2'-({2-[2-amino-6-(methylsulfanyl)-9h-purin-9-yl]ethyl}imino)diethanol.

Physical properties about Ethanol,2,2'-[[2-[2-amino-6-(methylthio)-9H-purin-9-yl]ethyl]imino]di- (8CI) are: (1)ACD/LogP: -0.38; (2)#H bond acceptors: 8; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 10; (5)Polar Surface Area: 93.84 Å²; (6)Index of Refraction: 1.7; (7)Molar Refractivity: 81.06 cm³; (8)Molar Volume: 209.5 cm³; (9)Polarizability: 32.13×10^-24cm³; (10)Surface Tension: 65.5 dyne/cm; (11)Density: 1.49 g/cm³; (12)Flash Point: 343.6 °C; (13)Enthalpy of Vaporization: 99.93 kJ/mol; (14)Boiling Point: 644.5 °C at 760 mmHg; (15)Vapour Pressure: 1.71E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c1c(ncn1CCN(CCO)CCO)c(nc2N)SC
(2)InChI: InChI=1/C12H20N6O2S/c1-21-11-9-10(15-12(13)16-11)18(8-14-9)3-2-17(4-6-19)5-7-20/h8,19-20H,2-7H2,1H3,(H2,13,15,16)
(3)InChIKey: UEMMRCXVJTZSHS-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H20N6O2S/c1-21-11-9-10(15-12(13)16-11)18(8-14-9)3-2-17(4-6-19)5-7-20/h8,19-20H,2-7H2,1H3,(H2,13,15,16)
(5)Std. InChIKey: UEMMRCXVJTZSHS-UHFFFAOYSA-N

Product Name

Ethanol,2,2'-[[2-[2-amino-6-(methylthio)-9H-purin-9-yl]ethyl]imino]di- (8CI)

Ethanol,2,2'-[[2-[2-amino-6-(methylthio)-9H-purin-9-yl]ethyl]imino]di- (8CI) Specification

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