Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 2-amino-4-methylpyrimidine-5-carboxylate |
EINECS | N/A |
CAS No. | 81633-29-6 | Density | 1.217 g/cm3 |
PSA | 78.10000 | LogP | 1.12510 |
Solubility | N/A | Melting Point |
222-226 °C |
Formula | C8H11N3O2 | Boiling Point | 350.5 °C at 760 mmHg |
Molecular Weight | 181.194 | Flash Point | 165.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | R36/37/38:Irritating to eyes, respiratory system and skin.; | |
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; |
Article Data | 7 |
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