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Ethyl (2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)acetate

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Name

Ethyl (2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)acetate

EINECS N/A
CAS No. 499209-19-7 Density 1.36 g/cm3
PSA 98.33000 LogP 0.75960
Solubility N/A Melting Point N/A
Formula C9H13N3O3 Boiling Point 349.5 °C at 760 mmHg
Molecular Weight 211.22 Flash Point 165.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 499209-19-7 (Ethyl (2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)acetate) Hazard Symbols N/A
Synonyms

5-Pyrimidineaceticacid, 2-amino-1,4-dihydro-6-methyl-4-oxo-, ethyl ester (9CI);Ethyl (2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)acetate;

 

Ethyl (2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)acetate Specification

The CAS register number of Ethyl (2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)acetate is 499209-19-7. It also can be called as (2-Amino-4-hydroxy-6-methylpyrimidin-5-yl)acetic acid ethyl ester and the IUPAC name about this chemical is ethyl 2-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetate. The molecular formula about this chemical is C9H13N3O3 and molecular weight is 211.22. It belongs to the Pyrimidine Series.

Physical properties about Ethyl (2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)acetate are: (1)ACD/LogP: 0.66; (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: 6; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 62.21Å2; (10)Index of Refraction: 1.591; (11)Molar Refractivity: 52.21 cm3; (12)Molar Volume: 154.5 cm3; (13)Polarizability: 20.7x10-24cm3; (14)Surface Tension: 49.1 dyne/cm; (15)Enthalpy of Vaporization: 59.4 kJ/mol; (16)Boiling Point: 349.5 °C at 760 mmHg; (17)Vapour Pressure: 4.69E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1/N=C(\N\C(=C\1CC(=O)OCC)C)N
(2)InChI: InChI=1/C9H13N3O3/c1-3-15-7(13)4-6-5(2)11-9(10)12-8(6)14/h3-4H2,1-2H3,(H3,10,11,12,14)
(3)InChIKey: QQVHAVBZUUKKSU-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H13N3O3/c1-3-15-7(13)4-6-5(2)11-9(10)12-8(6)14/h3-4H2,1-2H3,(H3,10,11,12,14)
(5)Std. InChIKey: QQVHAVBZUUKKSU-UHFFFAOYSA-N

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