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1-Piperazinecarboximidamide,4-acetyl-, hydriodide (1:1)

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Name

1-Piperazinecarboximidamide,4-acetyl-, hydriodide (1:1)

EINECS N/A
CAS No. 849776-26-7 Density N/A
PSA 73.42000 LogP 0.71800
Solubility N/A Melting Point 229-230 °C
Formula C7H15IN4O Boiling Point 374.5 °C at 760 mmHg
Molecular Weight 298.12 Flash Point 180.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 849776-26-7 (4-ACETYLTETRAHYDRO-1(2H)-PYRAZINECARBOXIMIDAMIDE HYDROIODIDE) Hazard Symbols N/A
Synonyms

1-Piperazinecarboximidamide,4-acetyl-, monohydriodide (9CI);4-Acetylpiperazine-1-carboximidamide hydroiodide;4-Acetyltetrahydro-1(2H)-pyrazinecarboximidamide hydroiodide;

 

1-Piperazinecarboximidamide,4-acetyl-, hydriodide (1:1) Specification

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

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