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| CAS No.: | 635-39-2 |
|---|---|
| Name: | Guanine hydrochloride |
| Molecular Structure: | |
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| Formula: | C5H6ClN5O |
| Molecular Weight: | 187.589 |
| Synonyms: | 6H-Purin-6-one,2-amino-1,7-dihydro-, monohydrochloride (9CI);Guanine, monohydrochloride(8CI);Guaninium chloride; |
| EINECS: | 211-235-5 |
| Density: | 2.19g/cm3 |
| Melting Point: | ≥ 300 °C |
| Boiling Point: | 591.4 °C at 760 mmHg |
| Flash Point: | 311.4 °C |
| Solubility: | Slightly soluble in water |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 100.45000 |
| LogP: | 0.61160 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Guanine hydrochloride, with the CAS registry number 635-39-2, is also known as 2-Amino-1,7-dihydro-6H-purin-6-one monohydrochloride. It belongs to the product categories of Purine; Biochemistry; Nucleobases and Their Analogs; Nucleosides, Nucleotides & Related Reagents; Nucleic acids. Its EINECS registry number is 220-867-0. This chemical's molecular formula is C5H6ClN5O and molecular weight is 187.59. Its IUPAC name is called 2-amino-3,7-dihydropurin-6-one hydrochloride. This chemical is white to pale yellow crystalline powder. The product should be sealed and stored in cool and dry place. What's more, it should be protected from strong oxides. It can be used as biochemical reagents and also can be used in pharmaceutical industry.
Physical properties of Guanine hydrochloride: (1)ACD/LogP: -0.98; (2)ACD/LogD (pH 5.5): -0.98; (3)ACD/LogD (pH 7.4): -0.98; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.98; (7)ACD/KOC (pH 7.4): 6.99; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)Flash Point: 311.4 °C; (11)Enthalpy of Vaporization: 88.21 kJ/mol; (12)Boiling Point: 591.4 °C at 760 mmHg; (13)Vapour Pressure: 5.86E-14 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=NC2=C(N1)C(=O)N=C(N2)N.Cl
(2)InChI: InChI=1S/C5H5N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h1H,(H4,6,7,8,9,10,11);1H
(3)InChIKey: IBAOFQIOOBQLHE-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | National Technical Information Service. Vol. AD277-689, |