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Home> Encyclopedia > Hot Product Listed 2   > 2,4-Pyridinedicarboxamide,N2,N4-diethyl-
86483-48-9 structure

2,4-Pyridinedicarboxamide,N2,N4-diethyl-

Iupac Name:1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
CAS No.:86483-48-9
Molecular Weight:367.80200
Molecular Formula:C16H12CL2N2O (isomer)
Names and Identifiers
Synonyms

2,4-Pyridinedicarboxamide,N,N'-diethyl- (9CI) S 0885

Inchi
InChI=1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H
InChkey
DIOIOSKKIYDRIQ-UHFFFAOYSA-N
Canonical Smiles
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.Cl
Properties
Density
1.55
Melting Point
>300 °C
Boiling Point
605.6 °C at 760 mmHg
Flash Point
171.3°C
HS Code
29419000
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26-S36
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:367.80200g/mol
  • Molecular Formula:C16H12CL2N2O
  • Compound Is Canonicalized:True
  • Exact Mass:367.11
  • Monoisotopic Mass:367.11
  • Complexity:571
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:72.9A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB7MQAEAAAAAAAAAAAAGAAAAAAAAAA8QIAAAAAAAACBAAAAHwAQCAAADCzBmAwwyIPAAgCI AqTWSACCAAAlAgAAiIEIZMgIZD7I1NGUYYhksADI2ceY2aOeCAAAAAQCAAAQAAAACAQAAAAAAAAA AA==
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