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CAS No.: | 308348-93-8 |
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Name: | METHYL 2-AMINOPYRIMIDINE-5-CARBOXYLATE |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C6H7N3O2 |
Molecular Weight: | 153.14 |
Synonyms: | Methyl 2-Aminopyrimidine-5-carboxylate;METHYL 2-AMINOPYRIMIDINE-5-CARBOXYLATE; |
Density: | 1.32 g/cm3 |
Boiling Point: | 344.232 °C at 760 mmHg |
Flash Point: | 161.986 °C |
PSA: | 78.10000 |
LogP: | 0.42660 |
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The 5-Pyrimidinecarboxylicacid, 2-amino-, methyl ester, with the CAS registry number 308348-93-8, is also known as ZINC08698488. It belongs to the product category of Carboxylicester. This chemical's molecular formula is C6H7N3O2 and molecular weight is 153.14. Its IUPAC name is called methyl 2-aminopyrimidine-5-carboxylate.
Physical properties of 5-Pyrimidinecarboxylicacid, 2-amino-, methyl ester: (1)ACD/LogP: -0.42; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 14; (5)ACD/KOC (pH 7.4): 14; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.577; (10)Molar Refractivity: 38.445 cm3; (11)Molar Volume: 116.054 cm3; (12)Surface Tension: 62.456 dyne/cm; (13)Density: 1.32 g/cm3; (14)Flash Point: 161.986 °C; (15)Enthalpy of Vaporization: 58.817 kJ/mol; (16)Boiling Point: 344.232 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=CN=C(N=C1)N
(2)InChI: InChI=1S/C6H7N3O2/c1-11-5(10)4-2-8-6(7)9-3-4/h2-3H,1H3,(H2,7,8,9)
(3)InChIKey: JVHBXKOTWYZYDF-UHFFFAOYSA-N