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| CAS No.: | 598-65-2 |
|---|---|
| Name: | 1,1-Dimethylguanidine sulfate |
| Molecular Structure: | |
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| Formula: | C6H20N6O4S |
| Molecular Weight: | 272.329 |
| Synonyms: | diaminomethylidene-dimethyl-azanium;Guanidine, 1, 1-dimethyl-, sulfate (2:1);1-1-dimethylguanidine sulfate salt;1,1-dimethylguanidine; sulfuric acid;N (1),N(1)-Dimethylguanidine sulfate (2:1);Guanidine, N,N-dimethyl-, sulfate (2:1); |
| EINECS: | 209-946-0 |
| Melting Point: | 300 °C (dec.)(lit.) |
| Boiling Point: | 104.7 °C at 760 mmHg |
| Flash Point: | 17.1 °C |
| Appearance: | white to off-white powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 136.09000 |
| LogP: | 0.66950 |
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Specification
The 1, 1-Dimethylguanidine sulfate, with the CAS registry number of 598-65-2, is also known as N, N-Dimethyl-guanidinsulfate(2:1). It belongs to the product categories of Guanidines; Nitrogen Compounds; Organic Building Blocks. Its EINECS registry number is 209-946-0. This chemical's molecular formula is C6H20N6O4S and molecular weight is 272.33. What's more, its IUPAC name is 1, 1-Dimethylguanidine sulfuric acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, this chemical is prepared by Lime nitrogen. And it is the intermediate of bactericide Dimethirimol and pesticide Pirimicarb.
Physical properties about 1, 1-Dimethylguanidine sulfate are: (1)ACD/LogP: -1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.52; (4)ACD/LogD (pH 7.4): -3.51; (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: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 18.84 Å2; (13)Flash Point: 17.1 °C; (14)Enthalpy of Vaporization: 34.38 kJ/mol; (15)Boiling Point: 104.7 °C at 760 mmHg; (16)Vapour Pressure: 30.4 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact 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=S(=O)(O)O.[N@H]=C(N(C)C)N.[N@H]=C(N)N(C)C
(2) InChI: InChI=1/2C3H9N3.H2O4S/c2*1-6(2)3(4)5;1-5(2,3)4/h2*1-2H3,(H3,4,5);(H2,1,2,3,4)
(3) InChIKey: QSCHFHVDZCPIKX-UHFFFAOYAF