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| CAS No.: | 81633-29-6 |
|---|---|
| Name: | ETHYL 2-AMINO-4-METHYLPYRIMIDINE-5-CARBOXYLATE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C8H11N3O2 |
| Molecular Weight: | 181.194 |
| Synonyms: | 2-Amino-4-methylpyrimidine-5-carboxylicacid ethyl ester;ethyl 2-amino-4-methylpyrimidine-5-carboxylate;5-pyrimidinecarboxylic acid, 2-amino-4-methyl-, ethyl ester; |
| Density: | 1.217 g/cm3 |
| Melting Point: | 222-226 °C |
| Boiling Point: | 350.5 °C at 760 mmHg |
| Flash Point: | 165.8 °C |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 78.10000 |
| LogP: | 1.12510 |
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- Total:22 Page 1 of 1 1
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Specification
The 5-Pyrimidinecarboxylicacid, 2-amino-4-methyl-, ethyl ester, with the CAS registry number 81633-29-6, has the systematic name of ethyl 2-amino-4-methylpyrimidine-5-carboxylate. It belongs to the following product categories: Esters; Pyrazines, Pyrimidines & Pyridazines; Pyrazines, Pyrimidines & Pyridazines. And the molecular formula of the chemical is C8H11N3O2.
The characteristics of 5-Pyrimidinecarboxylicacid, 2-amino-4-methyl-, ethyl ester are as followings: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 55.32 Å2; (7)Index of Refraction: 1.556; (8)Molar Refractivity: 47.9 cm3; (9)Molar Volume: 148.8 cm3; (10)Polarizability: 18.99×10-24cm3; (11)Surface Tension: 54.1 dyne/cm; (12)Density: 1.217 g/cm3; (13)Flash Point: 165.8 °C; (14)Enthalpy of Vaporization: 59.51 kJ/mol; (15)Boiling Point: 350.5 °C at 760 mmHg; (16)Vapour Pressure: 4.38E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)c1cnc(nc1C)N
(2)InChI: InChI=1/C8H11N3O2/c1-3-13-7(12)6-4-10-8(9)11-5(6)2/h4H,3H2,1-2H3,(H2,9,10,11)
(3)InChIKey: YBFVMJRSZCVJJP-UHFFFAOYAZ