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CAS No.: | 58296-58-5 |
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Name: | Cyanoguanidine monohydrochloride |
Molecular Structure: | |
Formula: | C2H5ClN4 |
Molecular Weight: | 120.542 |
Synonyms: | Guanidine,cyano-, monohydrochloride (9CI);Guanidine, N-cyano-,hydrochloride (1:1); |
EINECS: | 261-201-9 |
Boiling Point: | 229.8 °C at 760 mmHg |
Flash Point: | 92.8 °C |
PSA: | 85.69000 |
LogP: | 0.94348 |
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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 %.
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