Products Categories
| CAS No.: | 2308-57-8 |
|---|---|
| Name: | 2-HYDROXYPURINE |
| Article Data: | 5 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H4N4O |
| Molecular Weight: | 136.113 |
| Synonyms: | 1,3-dihydro-2h-purin-2-on;1,3-dihydro-2h-purin-2-one;2-oxopurine;purin-2(1h)-one;2H-Purin-2-one, 1,3-dihydro- (9CI);2(1H)-Oxo-9H-purine;2-Hydroxy-1H-purine;2-Hydroxy-9H-purine |
| Density: | 1.89 g/cm3 |
| Boiling Point: | 683.3 °C at 760 mmHg |
| Flash Point: | 367.1 °C |
| PSA: | 74.69000 |
| LogP: | 0.05850 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- Total:6 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The 2H-Purin-2-one,3,7-dihydro-, with the CAS registry number of 2308-57-8, is also known as Purinol. This chemical's molecular formula is C5H4N4O and molecular weight is 136.11. What's more, its IUPAC name is 3,7-Dihydropurin-2-one. This chemical's classification code is Drug / Therapeutic Agent.
Physical properties about the 2H-Purin-2-one,3,7-dihydro- are: (1)ACD/LogP: -1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): -1.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.36; (8)ACD/KOC (pH 7.4): 3.39; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 50.49 Å2; (13)Index of Refraction: 1.902; (14)Molar Refractivity: 33.55 cm3; (15)Molar Volume: 71.9 cm3; (16)Surface Tension: 91.4 dyne/cm; (17)Density: 1.89 g/cm3; (18)Flash Point: 367.1 °C; (19)Enthalpy of Vaporization: 103.84 kJ/mol; (20)Boiling Point: 683.3 °C at 760 mmHg; (21)Vapour Pressure: 2.67E-19 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of 4,5-Diamino-1H-pyrimidin-2-one with Triethoxymethane. The reaction needs reagent HCl and solvent Dimethylformamide. The reaction time is 4 days. The yield is about 82 %.
.png)
Uses: it is used to produce other chemicals. For example, it is used to produce 6-Ethoxy-1,3,6,7-tetrahydro-1,3,7-tribenzyl-2H-purin-2-one. This reaction needs reagent K2CO3. Meanwhile, it needs solvent Acetonitrile. The reaction time is 17 h. The yield is about 61 %.
.png)
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2\N=C/c1c(ncn1)N2
(2) InChI: InChI=1/C5H4N4O/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)
(3) InChIKey: CRIZPXKICGBNKG-UHFFFAOYAP
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 320mg/kg (320mg/kg) | Japanese Kokai Tokyo Koho Patents. Vol. #78-55733, | |
| rat | LD50 | oral | 1035mg/kg (1035mg/kg) | Japanese Kokai Tokyo Koho Patents. Vol. #78-55733, |