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117719-15-0

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Basic Information
CAS No.: 117719-15-0
Name: 2-AMINO-3-PIPERIDIN-1-YLPYRAZINE
Molecular Structure:
Molecular Structure of 117719-15-0 (2-AMINO-3-PIPERIDIN-1-YLPYRAZINE)
Formula: C9H14N4
Molecular Weight: 178.237
Synonyms: Pyrazinamine,3-(1-piperidinyl)- (9CI);2-Amino-3-piperidin-1-ylpyrazine;3-(1-Piperidyl)pyrazin-2-amine;
Density: 1.185 g/cm3
Boiling Point: 356.615 °C at 760 mmHg
Flash Point: 169.475 °C
PSA: 55.04000
LogP: 1.69530
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Specification

The 2-Pyrazinamine,3-(1-piperidinyl)-, with the CAS registry number 117719-15-0, is also known as 2-Amino-3-piperidin-1-ylpyrazine. This chemical's molecular formula is C9H14N4 and molecular weight is 178.23. What's more, its systematic name is 3-(1-Piperidyl)pyrazin-2-amine.

Physical properties of 2-Pyrazinamine,3-(1-piperidinyl)- are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.727; (4)ACD/LogD (pH 7.4): 3.004; (5)ACD/BCF (pH 5.5): 59.539; (6)ACD/BCF (pH 7.4): 112.741; (7)ACD/KOC (pH 5.5): 539.254; (8)ACD/KOC (pH 7.4): 1021.106; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.04 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 51.488 cm3; (15)Molar Volume: 150.429 cm3; (16)Polarizability: 20.411×10-24 cm3; (17)Surface Tension: 60.676 dyne/cm; (18)Density: 1.185 g/cm3; (19)Flash Point: 169.475 °C; (20)Enthalpy of Vaporization: 60.189 kJ/mol; (21)Boiling Point: 356.615 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(c(n1)N)N2CCCCC2
(2)InChI: InChI=1S/C9H14N4/c10-8-9(12-5-4-11-8)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2,(H2,10,11)
(3)InChIKey: VGTXVNPYJYRTSV-UHFFFAOYSA-N