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Guanidine acetate

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Name

Guanidine acetate

EINECS 209-814-2
CAS No. 593-87-3 Density N/A
PSA 113.19000 LogP 0.42980
Solubility 10 g /100 mL Melting Point 226-230 °C
Formula CH5N3.C2H4O2 Boiling Point 132.9 °C at 760 mmHg
Molecular Weight 119.123 Flash Point 34.2 °C
Transport Information N/A Appearance white crystalline powder
Safety 22-24/25-36/37/39-27-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 593-87-3 (Guanidine acetate) Hazard Symbols IrritantXi
Synonyms

Guanidine, monoacetate;Guanidine, acetate;acetic acid; guanidine;Guanidinium acetate;34771-62-5;

Article Data 5

Guanidine acetate 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.

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

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