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Home> Encyclopedia > Hot Product Listed 2   > 2-methyl-4-nitro-aniline sulfate
794533-53-2 structure

2-methyl-4-nitro-aniline sulfate

Iupac Name:3-cyclopentylpiperidine
CAS No.:794533-53-2
Molecular Weight:153.269
Molecular Formula:C8H9FN2O4S (isomer)
Names and Identifiers
Synonyms

2-methyl-4-nitroaniline sulphate AC1MI68M einecs 275-942-0 SCHEMBL10656288

Inchi
InChI=1S/C10H19N/c1-2-5-9(4-1)10-6-3-7-11-8-10/h9-11H,1-8H2
InChkey
KUNYOMAMUNKINB-UHFFFAOYSA-N
Canonical Smiles
C1CCC(C1)C2CCCNC2
Properties
Density
1.082
Boiling Point
373.9°C at 760 mmHg
Flash Point
70.8 °C
Computational chemical data
  • Molecular Weight:153.269g/mol
  • Molecular Formula:C8H9FN2O4S
  • Compound Is Canonicalized:True
  • Exact Mass:153.152
  • Monoisotopic Mass:153.152
  • Complexity:116
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByAAAAAAAAAAAAAAAAAAAAAYAAAAAsAAAAAAAAAAAAAAAAHAAQAAAADQDBAAQAAALAAAAA AAAAAAAAAAAAAAAAAIAIAAAAAAIAgAAEAAAAEACAAAEQgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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