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Basic Information
CAS No.: 1154-82-1
Name: METHYL 3-AMINO-5-(BENZYLAMINO)-6-CHLOROPYRAZINE-2-CARBOXYLATE
Article Data: 7
Molecular Structure:
Molecular Structure of 1154-82-1 (METHYL 3-AMINO-5-(BENZYLAMINO)-6-CHLOROPYRAZINE-2-CARBOXYLATE)
Formula: C13H13ClN4O2
Molecular Weight: 292.7209
Synonyms: Pyrazinecarboxylicacid, 3-amino-5-(benzylamino)-6-chloro-, methyl ester (7CI,8CI);
Density: 1.406 g/cm3
Melting Point: 157 °C
Boiling Point: 488.4 °C at 760 mmHg
Flash Point: 249.2 °C
PSA: 90.13000
LogP: 2.76510
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Chemistry

 Molecular Structure of methyl3-amino-5-(benzylamino)-6-chloropyrazine-2-carboxylate (CAS NO.1154-82-1):

Empirical Formula: C13H13ClN4O2
Molecular Weight: 292.7209
H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 58.56Å2
Index of Refraction: 1.666
Molar Refractivity: 77.43 cm3
Molar Volume: 208.1 cm3
Surface Tension: 65.9 dyne/cm
Density: 1.406 g/cm3
Flash Point: 249.2 °C
Enthalpy of Vaporization: 75.45 kJ/mol
Melting Point: 157 °C
Boiling Point: 488.4 °C at 760 mmHg
Vapour Pressure: 1.09E-09 mmHg at 25°C
SMILES: O=C(OC)c1nc(Cl)c(nc1N)NCc2ccccc2
InChI: InChI=1/C13H13ClN4O2/c1-20-13(19)9-11(15)18-12(10(14)17-9)16-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,15,16,18)
Synonyms: Pyrazinecarboxylicacid, 3-amino-5-(benzylamino)-6-chloro-, methyl ester (7CI,8CI)