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Cyanoguanidine monohydrochloride

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Name

Cyanoguanidine monohydrochloride

EINECS 261-201-9
CAS No. 58296-58-5 Density N/A
PSA 85.69000 LogP 0.94348
Solubility N/A Melting Point N/A
Formula C2H5ClN4 Boiling Point 229.8 °C at 760 mmHg
Molecular Weight 120.542 Flash Point 92.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 58296-58-5 (Cyanoguanidine monohydrochloride) Hazard Symbols N/A
Synonyms

Guanidine,cyano-, monohydrochloride (9CI);Guanidine, N-cyano-,hydrochloride (1:1);

 

Cyanoguanidine monohydrochloride Specification

The Cyanoguanidine monohydrochloride, with the CAS registry number 58296-58-5, is also known as 1-Cyanoguanidine hydrochloride (1:1). Its EINECS registry number is 261-201-9. This chemical's molecular formula is C2H5ClN4 and molecular weight is 120.54. What's more, its systematic name is 2-Cyanoguanidine hydrochloride.

Physical properties about Cyanoguanidine monohydrochloride are: (1)ACD/LogP: -1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.15; (4)ACD/LogD (pH 7.4): -1.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.64; (8)ACD/KOC (pH 7.4): 5.64; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 42.63 Å2; (13)Flash Point: 92.8 °C; (14)Enthalpy of Vaporization: 46.65 kJ/mol; (15)Boiling Point: 229.8 °C at 760 mmHg; (16)Vapour Pressure: 0.068 mmHg at 25 °C.

Uses of Cyanoguanidine monohydrochloride: it is used to produce other chemicals. For example, it is used to produce Cyanamino-2(hydroxy-3' thienyl-2')-4 phenyl-6 pyrimidine by heating. The reaction needs reagent Sodium ethanoate and solvent Ethanol. The reaction time is 24 hours. The yield is about 44 %.

The Cyanoguanidine monohydrochloride can react with 5-Phenyl-thieno[3,2-b]pyran-7-one to get Cyanamino-2(hydroxy-3' thienyl-2')-4 phenyl-6 pyrimidine

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.N#C\N=C(/N)N
(2) InChI: InChI=1/C2H4N4.ClH/c3-1-6-2(4)5;/h(H4,4,5,6);1H
(3) InChIKey: XFUXGQBTPGTUMC-UHFFFAOYAM

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