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6H-Purin-6-one,2,8-diamino-1,9-dihydro-

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Name

6H-Purin-6-one,2,8-diamino-1,9-dihydro-

EINECS N/A
CAS No. 28128-41-8 Density 2.53 g/cm3
PSA 126.47000 LogP -0.02700
Solubility N/A Melting Point >330°C (dec.)
Formula C5H6N6O Boiling Point 625.9 °C at 760 mmHg
Molecular Weight 166.142 Flash Point 332.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 28128-41-8 (8-AMINOGUANINE) Hazard Symbols N/A
Synonyms

6H-Purin-6-one,2,8-diamino-1,7-dihydro- (9CI);Hypoxanthine, 2,8-diamino- (8CI);8-Aminoguanine;NSC 23170;Hydrazinecarboximidamide;

Article Data 8

6H-Purin-6-one,2,8-diamino-1,9-dihydro- Synthetic route

79953-02-9

8-<(4-bromophenyl)azo>guanine

28128-41-8

8-aminoguanine

Conditions
ConditionsYield
With sodium dithionite In sodium hydroxide at 90℃; for 48h; pH 9;60%
168701-80-2

8-nitroguanine

28128-41-8

8-aminoguanine

Conditions
ConditionsYield
With sodium disulfite In water at 20℃; for 0.166667h;
With sodium dithionite Product distribution;
73-40-5

2-amino-1,9-dihydro-6H-purin-6-one

28128-41-8

8-aminoguanine

Conditions
ConditionsYield
Stage #1: 2-amino-1,9-dihydro-6H-purin-6-one With 4-chlorophenyldiazonium salt
Stage #2: With sodium hydrogensulfite
Multi-step reaction with 2 steps
1: peroxynitrite / aq. phosphate buffer / 0.08 h / 20 °C / pH 7
2: sodium dithionite
View Scheme
Multi-step reaction with 2 steps
1: aq. HCl; ammonium formate; peroxonitrite / 0.03 h / 20 °C / pH 6.8 - 7.0
2: sodium hydrosulfite / H2O / 0.17 h / 20 °C
View Scheme
Multi-step reaction with 2 steps
1: 75 percent / aq. NaOH / 0.25 h / 0 °C / pH 10-11
2: 60 percent / sodium dithionite / aq. NaOH / 48 h / 90 °C / pH 9
View Scheme
3868-32-4

8-aminoguanosine

28128-41-8

8-aminoguanine

Conditions
ConditionsYield
With hydrogenchloride In water at 70℃; for 1h;
28128-41-8

8-aminoguanine

2,8-diamino-6-chloropurine

Conditions
ConditionsYield
With N,N-dimethyl-aniline; trichlorophosphate for 0.5h; Heating;63%
28128-41-8

8-aminoguanine

951-77-9

2'-Deoxycytidine

13389-04-3

8-amino-2'-deoxyguanosine

Conditions
ConditionsYield
With trans-N-deoxyribosylase from Lactobacillus helveticus In water at 37℃; for 15h; Product distribution; trans-deoxyribosylation; Enzymatic reaction; product analyzed by HPLC;58 % Chromat.
28128-41-8

8-aminoguanine

4909-78-8

N,N-dimethylformamide dineopentyl acetal

8-amino-2,8-bis(N-dimethylaminomethylene)guanine

Conditions
ConditionsYield
In N,N-dimethyl-formamide
28128-41-8

8-aminoguanine

[2-(2,8-diamino-6-oxo-1,6-dihydro-purin-9-yl)-ethoxymethyl]-phosphonic acid diisopropyl ester

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: dimethylformamide
2: NaH / dimethylformamide
3: Me3SiBr / acetonitrile
View Scheme
28128-41-8

8-aminoguanine

[2-(2,8-diamino-6-oxo-1,6-dihydro-purin-7-yl)-ethoxymethyl]-phosphonic acid diisopropyl ester

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: dimethylformamide
2: NaH / dimethylformamide
3: Me3SiBr / acetonitrile
View Scheme
28128-41-8

8-aminoguanine

{2-[2,8-bis-(dimethylamino-methyleneamino)-6-oxo-1,6-dihydro-purin-9-yl]-ethoxymethyl}-phosphonic acid diisopropyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: dimethylformamide
2: NaH / dimethylformamide
View Scheme

6H-Purin-6-one,2,8-diamino-1,9-dihydro- Specification

The CAS registry number of 6H-Purin-6-one,2,8-diamino-1,9-dihydro- is 28128-41-8. It belongs to the product categories of Nucleotides and Nucleosides; Bases & Related Reagents. This chemical is also named as 8-Amino guanine. In addition, its molecular formula is C5H6N6O and molecular weight is 166.14. Its IUPAC name is called 2,8-diamino-3,7-dihydropurin-6-one.

Physical properties about 6H-Purin-6-one,2,8-diamino-1,9-dihydro- are: (1)ACD/LogP: -1.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): -1.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.09; (8)ACD/KOC (pH 7.4): 5.74; (9)#H bond acceptors: 7; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 2.228; (13)Molar Refractivity: 37.38 cm3; (14)Molar Volume: 65.6 cm3; (15)Surface Tension: 169.2 dyne/cm; (16)Density: 2.53 g/cm3; (17)Flash Point: 332.3 °C; (18)Enthalpy of Vaporization: 92.66 kJ/mol; (19)Boiling Point: 625.9 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/N=C(\Nc1nc(nc12)N)N
(2)InChI: InChI=1/C5H6N6O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H6,6,7,8,9,10,11,12)
(3)InChIKey: WYDKPTZGVLTYPG-UHFFFAOYAL

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