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CAS No.: | 849776-26-7 |
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Name: | 4-ACETYLTETRAHYDRO-1(2H)-PYRAZINECARBOXIMIDAMIDE HYDROIODIDE |
Molecular Structure: | |
Formula: | C7H15IN4O |
Molecular Weight: | 298.12 |
Synonyms: | 1-Piperazinecarboximidamide,4-acetyl-, monohydriodide (9CI);4-Acetylpiperazine-1-carboximidamide hydroiodide;4-Acetyltetrahydro-1(2H)-pyrazinecarboximidamide hydroiodide; |
Melting Point: | 229-230 °C |
Boiling Point: | 374.5 °C at 760 mmHg |
Flash Point: | 180.3 °C |
PSA: | 73.42000 |
LogP: | 0.71800 |
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The 1-Piperazinecarboximidamide,4-acetyl-, hydriodide (1:1), with the CAS registry number 849776-26-7, is also known as 4-Acetyltetrahydro-1(2H)-pyrazinecarboximidamide hydroiodide. This chemical's molecular formula is C7H15IN4O and molecular weight is 298.12. What's more, its systematic name is 4-acetylpiperazine-1-carboximidamide hydroiodide.
Physical properties of 1-Piperazinecarboximidamide,4-acetyl-, hydriodide (1:1) are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 73.42 Å2; (10)Flash Point: 180.3 °C; (11)Enthalpy of Vaporization: 64.15 kJ/mol; (12)Boiling Point: 374.5 °C at 760 mmHg; (13)Vapour Pressure: 4.49E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: I.O=C(C)N1CCN(CC1)C(N)=N
(2)InChI: InChI=1S/C7H14N4O.HI/c1-6(12)10-2-4-11(5-3-10)7(8)9;/h2-5H2,1H3,(H3,8,9);1H
(3)InChIKey: WGTZMPUYWAYGAF-UHFFFAOYSA-N