-
Name
ethyl 4-amino-2-chloropyrimidine-5-carboxylate，4-amino-2-chloro-pyrimidine-5-carboxylic acid ethyl ester
- EINECS 200-258-5
- CAS No. 71406-78-5
- Density 1.395 g/cm3
- Solubility
- Melting Point 156℃
- Formula C7H8ClN3O2
- Boiling Point 376.8 °C at 760 mmHg
- Molecular Weight 201.612
- Flash Point 181.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 4-Amino-2-chloropyrimidine-5-carboxylicacid ethyl ester;
- PSA 78.10000
- LogP 1.47010
5-Pyrimidinecarboxylicacid, 4-amino-2-chloro-, ethyl ester Specification
This chemical is called 5-Pyrimidinecarboxylicacid, 4-amino-2-chloro-, ethyl ester, and its CAS registry number is 71406-78-5. With the molecular formula of C7H8ClN3O2, its molecular weight is 201.61.
Other characteristics of the 5-Pyrimidinecarboxylicacid, 4-amino-2-chloro-, ethyl ester can be summarised as followings: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 57.37; (6)ACD/BCF (pH 7.4): 57.37; (7)ACD/KOC (pH 5.5): 631.6; (8)ACD/KOC (pH 7.4): 631.67; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 78.1 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 47.97 cm3; (15)Molar Volume: 144.5 cm3; (16)Polarizability: 19.01×10-24cm3; (17)Surface Tension: 59.8 dyne/cm; (18)Density: 1.395 g/cm3; (19)Flash Point: 181.7 °C; (20)Enthalpy of Vaporization: 62.45 kJ/mol; (21)Boiling Point: 376.8 °C at 760 mmHg; (22)Vapour Pressure: 7.06E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Nc1nc(Cl)ncc1C(=O)OCC
2.InChI: InChI=1/C7H8ClN3O2/c1-2-13-6(12)4-3-10-7(8)11-5(4)9/h3H,2H2,1H3,(H2,9,10,11)
3.InChIKey: FZRLBTIPZJXREW-UHFFFAOYAQ
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