CAS No.54013-06-8,Ethyl 5-amino-2-pyrazinecarboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54013-06-8
Name:	Ethyl 5-amino-2-pyrazinecarboxylate

Formula:	C₇H₉N₃O₂
Molecular Weight:	167.167
Synonyms:	Pyrazinecarboxylicacid, 5-amino-, ethyl ester (7CI,9CI);Ethyl 5-amino-2-pyrazinecarboxylate;
Density:	1.261 g/cm³
Melting Point:	174-175 °C
Boiling Point:	365.617 °C at 760 mmHg
Flash Point:	174.919 °C
PSA:	78.10000
LogP:	0.81670

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Specification

The systematic name of Ethyl 5-amino-2-pyrazinecarboxylate is ethyl 5-aminopyrazine-2-carboxylate. With the CAS registry number 54013-06-8, it is also named as 2-Pyrazinecarboxylicacid, 5-amino-, ethyl ester. The product's category is Pharmacetical. In addition, its molecular formula is C₇H₉N₃O₂ and its molecular weight is 167.16.

The other characteristics of Ethyl 5-amino-2-pyrazinecarboxylate can be summarized as: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 99; (8)ACD/KOC (pH 7.4): 99; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 78.1 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 43.078 cm³; (15)Molar Volume: 132.561 cm³; (16)Polarizability: 17.077×10^-24cm³; (17)Surface Tension: 58.135 dyne/cm; (18)Density: 1.261 g/cm³; (19)Flash Point: 174.919 °C; (20)Enthalpy of Vaporization: 61.193 kJ/mol; (21)Boiling Point: 365.617 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)c1cnc(N)cn1
(2)InChI: InChI=1/C7H9N3O2/c1-2-12-7(11)5-3-10-6(8)4-9-5/h3-4H,2H2,1H3,(H2,8,10)
(3)InChIKey: BLPDHDYKCBRILY-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H9N3O2/c1-2-12-7(11)5-3-10-6(8)4-9-5/h3-4H,2H2,1H3,(H2,8,10)
(5)Std. InChIKey: BLPDHDYKCBRILY-UHFFFAOYSA-N