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| CAS No.: | 593-87-3 |
|---|---|
| Name: | Guanidine acetate |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | CH5N3.C2H4O2 |
| Molecular Weight: | 119.123 |
| Synonyms: | Guanidine, monoacetate;Guanidine, acetate;acetic acid; guanidine;Guanidinium acetate;34771-62-5; |
| EINECS: | 209-814-2 |
| Melting Point: | 226-230 °C |
| Boiling Point: | 132.9 °C at 760 mmHg |
| Flash Point: | 34.2 °C |
| Solubility: | 10 g /100 mL |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25-36/37/39-27-26 |
| PSA: | 113.19000 |
| LogP: | 0.42980 |
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- Total:30 Page 1 of 1 1
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Specification
This chemical is called Guanidine acetate, and its IUPAC name is acetic acid; guanidine. With the molecular formula of CH5N3.C2H4O2, its molecular weight is 119.12. The CAS registry number of this chemical is 593-87-3, and its product categories are Guanidines; Nitrogen Compounds; Organic Building Blocks. In additon, this chemical is white crystalline powder, and it should be stored sealed in the cool and dry plcace.
Other characteristics of the Guanidine acetate can be summarised as followings: (1)ACD/LogP: -1.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.81; (4)ACD/LogD (pH 7.4): -3.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.6 Å2; (13)Flash Point: 34.2 °C; (14)Enthalpy of Vaporization: 37.04 kJ/mol; (15)Boiling Point: 132.9 °C at 760 mmHg; (16)Vapour Pressure: 8.67 mmHg at 25°C.
Uses of this chemical: The Guanidine acetate could react with 3-dimethylaminomethylenepentane-2,4-dione, and obtain the 1-(2-amino-4-methyl-pyrimidin-5-yl)-ethanone. This reaction needs the reagent of sodium ethoxide, and the solvent of ethanol. The yield is 95 %. In additon, this reaction should be taken for 1 hour. The other condition is heating.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing, gloves and eye/face protection when you use it. Do not breathe dust. Avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: [O-]C(=O)C.[N@H]=C(N)[NH3+]
2.InChI: InChI=1/C2H4O2.CH5N3/c1-2(3)4;2-1(3)4/h1H3,(H,3,4);(H5,2,3,4)
3.InChIKey: DXTIKTAIYCJTII-UHFFFAOYAN