CAS No.117719-16-1,2-AMINO-3-MORPHOLIN-4-YLPYRAZINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	117719-16-1
Name:	2-AMINO-3-MORPHOLIN-4-YLPYRAZINE
Article Data:	7

Formula:	C₈H₁₂N₄O
Molecular Weight:	180.21
Synonyms:	Pyrazinamine,3-(4-morpholinyl)- (9CI);2-Amino-3-morpholin-4-ylpyrazine;3-Morpholinopyrazin-2-amine;
Density:	1.274 g/cm³
Boiling Point:	383.897 °C at 760 mmHg
Flash Point:	185.975 °C
PSA:	64.27000
LogP:	0.54160

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Specification

The 2-Pyrazinamine,3-(4-morpholinyl)-e, with the CAS registry number 117719-16-1, is also known as 2-Amino-3-morpholin-4-ylpyrazine. This chemical's molecular formula is C₈H₁₂N₄O and molecular weight is 180.21. What's more, its systematic name is 3-Morpholinopyrazin-2-amine.

Physical properties of 2-Pyrazinamine,3-(4-morpholinyl)-e are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.897; (5)ACD/BCF (pH 5.5): 11.589; (6)ACD/BCF (pH 7.4): 16.259; (7)ACD/KOC (pH 5.5): 182.323; (8)ACD/KOC (pH 7.4): 255.794; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 64.27 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 48.481 cm³; (15)Molar Volume: 141.472 cm³; (16)Polarizability: 19.22×10^-24cm³; (17)Surface Tension: 63.978 dyne/cm; (18)Density: 1.274 g/cm³; (19)Flash Point: 185.975 °C; (20)Enthalpy of Vaporization: 63.25 kJ/mol; (21)Boiling Point: 383.897 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(c(n1)N)N2CCOCC2
(2)InChI: InChI=1S/C8H12N4O/c9-7-8(11-2-1-10-7)12-3-5-13-6-4-12/h1-2H,3-6H2,(H2,9,10)
(3)InChIKey: NTDKLDOLZNULLH-UHFFFAOYSA-N