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