CAS No.15400-53-0,2-AMINO-5-CARBOETHOXY-4-HYDROXYPYRIMIDINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	15400-53-0
Name:	2-AMINO-5-CARBOETHOXY-4-HYDROXYPYRIMIDINE
Article Data:	8

Formula:	C₇H₉N₃O₃
Molecular Weight:	183.167
Synonyms:	5-Pyrimidinecarboxylicacid, 2-amino-4-hydroxy-, ethyl ester (8CI);2-Amino-4-hydroxy-5-pyrimidinecarbonic acid ethyl ester;2-Amino-4-hydroxypyrimidine-5-carboxylic acid ethylester;
EINECS:	239-418-5
Density:	1.488 g/cm³
Melting Point:	300 °C
Boiling Point:	379 °C at 760 mmHg
Flash Point:	183 °C
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	98.33000
LogP:	0.52230

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Specification

The 5-Pyrimidinecarboxylicacid, 2-amino-1,4-dihydro-4-oxo-, ethyl ester, with the CAS registry number 15400-53-0, is also known as Ethyl 2-amino-6-oxo-1,6-dihydro-5-pyrimidinecarboxylate. Its EINECS registry number is 239-418-5. This chemical's molecular formula is C₇H₉N₃O₃ and molecular weight is 183.16. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2-amino-6-oxo-1H-pyrimidine-5-carboxylate.

Physical properties about 5-Pyrimidinecarboxylicacid, 2-amino-1,4-dihydro-4-oxo-, ethyl ester are: (1)ACD/LogP: 0.312; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1.01; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 35.13; (8)ACD/KOC (pH 7.4): 31.01; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 93.78 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 43.184 cm³; (15)Molar Volume: 123.124 cm³; (16)Polarizability: 17.119×10^-24cm³; (17)Surface Tension: 57.800 dyne/cm; (18)Density: 1.488 g/cm³; (19)Flash Point: 183 °C; (20)Enthalpy of Vaporization: 65.15 kJ/mol; (21)Boiling Point: 379 °C at 760 mmHg; (22)Vapour Pressure: 2.78E-06 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1C(/C(=O)OCC)=C\N=C(\N)N1
(2) InChI: InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)
(3) InChIKey: HRRHGLKNOJHIGY-UHFFFAOYSA-N