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Chemical Product CAS:7066-05-9N-(3,5-dimethylphenyl)-5-[(4-methylpiperazin-1-yl)sulfonyl]pyridin-2-amine


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N-(3,5-dimethylphenyl)-5-[(4-methylpiperazin- ( CASNO:7066-05-9 )

Identification and Related Records
CAS Registry number:
Iupac name:
2-pyridinamine, N-(3,5-dimethylphenyl)-5-[(4-methyl-1-piperazinyl)sulfonyl]-
Molecular Formula:
Molecular Weight:
Canonical SMILES:
Chemical and Physical Properties
Boiling Point:
512.7°C at 760 mmHg
Refractive Index:
Flash Point:
Computed Properties:
Molecular Weight:360.47376 [g/mol]
Molecular Formula:C18H24N4O2S
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:360.161997
MonoIsotopic Mass:360.161997
Topological Polar Surface Area:73.9
Heavy Atom Count:25
Formal Charge:0
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Cation Count:2
Feature 3D Ring Count:3
Effective Rotor Count:5.2
Conformer Sampling RMSD:0.8
CID Conformer Count:93
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