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CAS No.: | 50432-67-2 |
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Name: | 2-Chloro-N4-methylpyridine-3,4-diamine |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C6H8ClN3 |
Molecular Weight: | 157.60082 |
Synonyms: | 2-CHLORO-N4-METHYLPYRIDINE-3,4-DIAMINE |
PSA: | 50.94000 |
LogP: | 2.01310 |
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IUPAC Name: 2-Chloro-4-N-methylpyridine-3,4-diamine
Canonical SMILES: CNC1=C(C(=NC=C1)Cl)N
InChI: InChI=1S/C6H8ClN3/c1-9-4-2-3-10-6(7)5(4)8/h2-3H,8H2,1H3,(H,9,10)
InChIKey: PLOHMGUEAHHTKK-UHFFFAOYSA-N
Molecular Weight: 157.60082 [g/mol]
Molecular Formula: C6H8ClN3
XLogP3-AA: 1.1
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 4
Exact Mass: 157.040675
MonoIsotopic Mass: 157.040675
Topological Polar Surface Area: 50.9
Heavy Atom Count: 10
Complexity: 109
Index of Refraction: 1.662
Molar Refractivity: 43.08 cm3
Molar Volume: 116.3 cm3
Surface Tension: 58.6 dyne/cm
Density: 1.354 g/cm3
Flash Point: 157 °C
Enthalpy of Vaporization: 57.9 kJ/mol
Boiling Point: 335.9 °C at 760 mmHg
Vapour Pressure: 0.000116 mmHg at 25 °C
Product Categories of 2-Chloro-N4-methylpyridine-3,4-diamine (CAS NO.50432-67-2): pharmacetical
2-Chloro-N4-methylpyridine-3,4-diamine (CAS NO.50432-67-2), its Synonyms are 3,4-Pyridinediamine, 2-chloro-N4-methyl- ; 2-Chloro-N'-methyl-pyridine-3,4-diamine .