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124491-42-5

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Basic Information
CAS No.: 124491-42-5
Name: Ethanone,1-(2-amino-5-pyrimidinyl)-
Molecular Structure:
Molecular Structure of 124491-42-5 (Ethanone,1-(2-amino-5-pyrimidinyl)-)
Formula: C6H7N3O
Molecular Weight: 137.13928
Synonyms: 2-Amino-5-acetylpyrimidine;
Density: 1.25 g/cm3
Melting Point: 172-173 °C
Boiling Point: 351.3 °C at 760 mmHg
Flash Point: 166.3 °C
PSA: 68.87000
LogP: 0.84260
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    factory?direct?sale Application:healing drugs

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    Molecular Formula： C6H7N3O Molecular Weight： 137.14Appearance:yellow solid

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Specification

The Ethanone, 1-(2-amino-5-pyrimidinyl)-, with the CAS registry number of 124491-42-5, is also known as Ethanone, 1-(2-amino-5-pyrimidinyl)- (9CI). It belongs to the product categories of Acetylgroup; Pyrimidine. This chemical's molecular formula is C6H7N3O and molecular weight is 137.13928. What's more, its systematic name is called 1-(2-Aminopyrimidin-5-yl)ethanone.

Physical properties about Ethanone, 1-(2-amino-5-pyrimidinyl)- 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): 9.04; (5)ACD/KOC (pH 7.4): 9.04; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 68.87 Å2; (10)Index of Refraction: 1.583; (11)Molar Refractivity: 36.69 cm3; (12)Molar Volume: 109.6 cm3; (13)Surface Tension: 61 dyne/cm; (14)Density: 1.25 g/cm3; (15)Flash Point: 166.3 °C; (16)Enthalpy of Vaporization: 59.6 kJ/mol; (17)Boiling Point: 351.3 °C at 760 mmHg; (18)Vapour Pressure: 4.13E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C)c1cnc(N)nc1
(2) InChI: InChI=1/C6H7N3O/c1-4(10)5-2-8-6(7)9-3-5/h2-3H,1H3,(H2,7,8,9)
(3) InChIKey: UYVRMDUESKFUJX-UHFFFAOYAF