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| CAS No.: | 84145-02-8 |
|---|---|
| Name: | Bis(2-amino-1,7-dihydro-8H-adenin-8-one) sulphate |
| Molecular Structure: | |
 |
|
| Formula: | C10H14N12O6S |
| Molecular Weight: | 430.35996 |
| Synonyms: | Einecs 282-225-6; |
| EINECS: | 282-225-6 |
| Boiling Point: | 738.8 °C at 760 mmHg |
| Flash Point: | 400.6 °C |
| PSA: | 337.90000 |
| LogP: | -0.10360 |
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Specification
The CAS registry number of Bis(2-amino-1,7-dihydro-8H-adenin-8-one) sulphate is 84145-02-8. Its EINECS registry number is 282-225-6. This chemical's molecular formula is C10H14N12O6S and molecular weight is 430.36. What's more, both its IUPAC name and systematic name are the same which is called 2,6-Diamino-1,7-dihydropurin-8-one; sulfuric acid.
Physical properties about Bis(2-amino-1,7-dihydro-8H-adenin-8-one) sulphate are: (1)# of Rule of 5 Violations: 2; (2)#H bond acceptors: 18; (3)#H bond donors: 14; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 318.76 Å2; (6)Flash Point: 400.6 °C; (7)Enthalpy of Vaporization: 117.3 kJ/mol; (8)Boiling Point: 738.8 °C at 760 mmHg; (9)Vapour Pressure: 6.97E-24 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OS(O)(=O)=O.O=C1N=C2N=C(N)NC(N)=C2N1.O=C1N=C2N=C(N)NC(N)=C2N1
(2) InChI: InChI=1/2C5H6N6O.H2O4S/c2*6-2-1-3(10-4(7)9-2)11-5(12)8-1;1-5(2,3)4/h2*(H6,6,7,8,9,10,11,12);(H2,1,2,3,4)
(3) InChIKey: UKAWXNPCBSSKHZ-UHFFFAOYAV