2-Pyrimidinecarboxylicacid, 4-amino-, ethyl ester supplier

Name
ETHYL 4-AMINOPYRIMIDINE-2-CARBOXYLATE
EINECS
CAS No. 71470-41-2
Article Data4
CAS DataBase
Density 1.261 g/cm³
Solubility
Melting Point
Formula C₇H₉N₃O₂
Boiling Point 350.5 °C at 760 mmHg
Molecular Weight 167.167
Flash Point 165.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 4-aminopyrimidine-2-carboxylate;
PSA 78.10000
LogP 0.81670

2-Pyrimidinecarboxylicacid, 4-amino-, ethyl ester Specification

The 2-Pyrimidinecarboxylicacid, 4-amino-, ethyl ester, with CAS registry number 71470-41-2, has the systematic name of ethyl 4-aminopyrimidine-2-carboxylate. And the chemical formula of this chemical is C₇H₉N₃O₂. Its molecular structure is 167.167.

Physical properties of 2-Pyrimidinecarboxylicacid, 4-amino-, ethyl ester: (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): 19.3; (5)ACD/KOC (pH 7.4): 19.46; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 78.1 Å²; (10)Index of Refraction: 1.563; (11)Molar Refractivity: 43.07 cm³; (12)Molar Volume: 132.5 cm³; (13)Polarizability: 17.07×10^-24cm³; (14)Surface Tension: 58.1 dyne/cm; (15)Density: 1.261 g/cm³; (16)Flash Point: 165.8 °C; (17)Enthalpy of Vaporization: 59.51 kJ/mol; (18)Boiling Point: 350.5 °C at 760 mmHg; (19)Vapour Pressure: 4.39E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccnc(n1)C(=O)OCC
(2)InChI: InChI=1/C7H9N3O2/c1-2-12-7(11)6-9-4-3-5(8)10-6/h3-4H,2H2,1H3,(H2,8,9,10)
(3)InChIKey: YHDZCFILDSOJRF-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H9N3O2/c1-2-12-7(11)6-9-4-3-5(8)10-6/h3-4H,2H2,1H3,(H2,8,9,10)
(5)Std. InChIKey: YHDZCFILDSOJRF-UHFFFAOYSA-N

Product Name

ETHYL 4-AMINOPYRIMIDINE-2-CARBOXYLATE

2-Pyrimidinecarboxylicacid, 4-amino-, ethyl ester Specification

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