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| CAS No.: | 73-24-5 |
|---|---|
| Name: | Adenine |
| Molecular Structure: | |
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|
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| Formula: | C5H5N5 |
| Molecular Weight: | 135.128 |
| Synonyms: | USAF CB-18;1,6-Dihydro-6-iminopurine;Adenine [JAN];ADE;Pedatisectine B;6-Amino-1H-purine;Vitamin B4;6-Aminopurine;1H-Purine, 6-amino-;6-Amino-7H-purine;3, 6-Dihydro-6-iminopurine;9H-purin-6-amine;Adenine (8CI);Adeninimine;9H-Purine, 1, 6-dihydro-6-imino-;Purine, 6-amino-;Adenine (JAN/USP);6-Amino-9H-purine;Leuco-4;Adenin;Crytidine;6-Aminopurine (Adenine);5H-purin-6-amine;6-Amino-3H-purine; |
| EINECS: | 200-796-1 |
| Density: | 1.612 g/cm3 |
| Melting Point: | >360 °C(lit.) |
| Boiling Point: | 553.491 °C at 760 mmHg |
| Flash Point: | 322.71 °C |
| Solubility: | 0.5 g/L at 20 °C in water |
| Appearance: | white to almost white crystalline powder |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 22-20/21/22 |
| Safety: | 26-36 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 80.48000 |
| LogP: | 0.51630 |
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4,5,6-triaminopyrimidine
- 77287-34-4, 77287-35-5, 60100-09-6
formamide
- 73-24-5
7H-purin-6-ylamine
| Conditions | Yield |
|---|---|
| at 140 - 150℃; for 4h; | 81.8% |
| at 140 - 150℃; for 4h; | 81.8% |
| Conditions | Yield |
|---|---|
| With water; nickel |
- 73-24-5
7H-purin-6-ylamine
| Conditions | Yield |
|---|---|
| With water; nickel Hydrogenation; |
| Conditions | Yield |
|---|---|
| at 230℃; |
- 409110-30-1
N-(4,6-diamino-pyrimidin-5-yl)-thioformamide
- 73-24-5
7H-purin-6-ylamine
| Conditions | Yield |
|---|---|
| With water | |
| With pyridine | |
| With quinoline |
| Conditions | Yield |
|---|---|
| With water; nickel |
- 49721-45-1
4,5,6-triaminopyrimidine sulfate
- 77287-34-4, 77287-35-5, 60100-09-6
formamide
- 73-24-5
7H-purin-6-ylamine
| Conditions | Yield |
|---|---|
| at 98℃; zeitlicher Verlauf.Hydrolysis; | |
| at 100℃; zeitlicher Verlauf.Hydrolysis; |
- 65758-94-3
2-amino-malonamidine; dihydrochloride
- 122-51-0
orthoformic acid triethyl ester
- 73-24-5
7H-purin-6-ylamine
| Conditions | Yield |
|---|---|
| With N,N-dimethyl-formamide | |
| With acetonitrile |
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History
Adenine was also called Vitamin B4.It is no longer considered a true vitamin or part of the Vitamin B complex. However, two B vitamins, niacin and riboflavin, bind with adenine to form the essential cofactors nicotinamide adenine dinucleotide and flavin adenine dinucleotide , respectively. Hermann Emil Fischer was one of the early scientists to study Adenine.Some think that, at the origin of life on Earth, the first adenine was formed by the polymerization of five hydrogen cyanide molecules. However, this has been criticized by some chemists.
Specification
The IUPAC name of Adenine is 7H-purin-6-amine. With the CAS registry number 73-24-5, it is also named as 1,6-Dihydro-6-iminopurine. The product's categories are Pyrimidine; Pharmaceutical Intermediates; Purines; Plant Growth Regulator; Nucleobases and their Analogs; Biochemistry; Cytokinins; Nucleosides, Nucleotides & Related Reagents; Nutritional Supplements; Nucleic Acids; Nucleic Acid Purification; Vitamin Ingredients, and the other registry numbers are 22051-90-7; 42911-33-1; 42911-34-2; 520-75-2; 66224-65-5. Besides, it is white to almost white crystalline powder, which should be stored in a cool, ventilated, dry place. This chemical is stable, and incompatible with strong oxidizing agents. In addition, its molecular formula is C5H5N5 and molecular weight is 135.13.
The other characteristics of this product can be summarized as: (1)EINECS: 200-796-1; (2)ACD/LogP: 0.02; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 7.4): 0.021; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.974; (8)ACD/KOC (pH 7.4): 24.421; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.837; (13)Molar Refractivity: 37.039 cm3; (14)Molar Volume: 83.823 cm3; (15)Surface Tension: 122.712 dyne/cm; (16)Density: 1.612 g/cm3; (17)Flash Point: 322.71 °C; (18)Melting Point: 360-365 °C; (19)Water solubility: 0.5 g/L at 20 °C; (20)Sublimation: 220 °C; (21)Enthalpy of Vaporization: 83.432 kJ/mol; (22)Boiling Point: 553.491 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of Adenine: this chemical can be derived from the nucleotide inosine monophosphate (IMP) by using atoms from the amino acids glycine, glutamine, and aspartic acid, as well as fused with the enzyme tetrahydrofolate. Additionally, you can use 4,6-Dichloro-5-nitropyrimidine to produce 4,6-Diamino-5-nitropyrimidine by reaction with Ammonia. And then you would obtain this chemical by the cyclization of 4,6-Diamino-5-nitropyrimidine with Formamide, Formic acid and Sodium thiosulfate.
Uses of Adenine: this chemical is used in forming nucleotides of the nucleic acids. Furthermore, it can bind to Thymine via two hydrogen bonds to assist in stabilizing the nucleic acid structures in DNA. And it is used for protein synthesis, adenine binds to uracil in RNA. It also can be used to produce Adenosine, Adenosine triphosphate (ATP). Similarly, it can react with Fluoromethyl-oxirane to get 1-(6-Amino-purin-9-yl)-3-fluoro-propan-2-ol.
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This reaction needs K2CO3 and Dimethylformamide at temperature of 70-75 °C for 6 hours. The yield is 63 %.
When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)SMILES: c1[nH]c2c(ncnc2n1)N
(2)InChI: InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
(3)InChIKey: GFFGJBXGBJISGV-UHFFFAOYAT
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| mouse | LD50 | intravenous | > 30mg/kg (30mg/kg) | Drugs in Japan Vol. 6, Pg. 20, 1982. | |
| mouse | LD50 | oral | 783mg/kg (783mg/kg) | Drugs in Japan Vol. 6, Pg. 19, 1982. | |
| mouse | LDLo | subcutaneous | 1gm/kg (1000mg/kg) | Annals of the New York Academy of Sciences. Vol. 60, Pg. 251, 1954. | |
| rat | LD50 | intraperitoneal | 198mg/kg (198mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 20, 1952. |
| rat | LD50 | oral | 227mg/kg (227mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Toxicology and Applied Pharmacology. Vol. 47, Pg. 229, 1979. |