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

Name
2-Pyrimidinecarboxylicacid,4-amino-,methylester(9CI)
EINECS
CAS No. 71470-40-1
Article Data2
CAS DataBase
Density 1.32g/cm³
Solubility
Melting Point
Formula C₆H₇N₃O₂
Boiling Point 348.343 °C at 760 mmHg
Molecular Weight 153.14
Flash Point 164.472 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl-4-aminopyrimidin-2-carboxylat;4-amino-pyrimidine-2-carboxylic acid methyl ester;4-Amino-2-Pyrimidinecarboxylic Acid Methyl Ester;
PSA 78.10000
LogP 0.42660

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

The 2-Pyrimidinecarboxylicacid, 4-amino-, methyl ester, with CAS registry number 71470-40-1, belongs to the following product category: Carboxylicester. It has the systematic name of methyl 4-aminopyrimidine-2-carboxylate. And the chemical formula of this chemical is C₆H₇N₃O₂.

Physical properties of 2-Pyrimidinecarboxylicacid, 4-amino-, methyl ester: (1)ACD/LogP: -1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2; (6)ACD/KOC (pH 7.4): 2; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 78.1 Å²; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 38.445 cm³; (13)Molar Volume: 116.054 cm³; (14)Polarizability: 15.241×10^-24cm³; (15)Surface Tension: 62.456 dyne/cm; (16)Density: 1.32 g/cm³; (17)Flash Point: 164.472 °C; (18)Enthalpy of Vaporization: 59.272 kJ/mol; (19)Boiling Point: 348.343 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccnc(n1)C(=O)OC
(2)InChI: InChI=1/C6H7N3O2/c1-11-6(10)5-8-3-2-4(7)9-5/h2-3H,1H3,(H2,7,8,9)
(3)InChIKey: PYQRUDYLXHRTQU-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H7N3O2/c1-11-6(10)5-8-3-2-4(7)9-5/h2-3H,1H3,(H2,7,8,9)
(5)Std. InChIKey: PYQRUDYLXHRTQU-UHFFFAOYSA-N

Product Name

2-Pyrimidinecarboxylicacid,4-amino-,methylester(9CI)

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

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