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Fominoben

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  • Name Fominoben
  • EINECS241-964-4
  • CAS No. 18053-31-1
  • Density1.289g/cm3
  • PSA61.88000
  • LogP2.89380
  • SolubilityN/A
  • Melting Point122.5-123°
  • FormulaC21H24 Cl N3 O3
  • Boiling Point503.2°C at 760 mmHg
  • Molecular Weight401.893
  • Flash Point258.1°C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 18053-31-1 (Fominoben)
  • Hazard SymbolsN/A
  • SynonymsN/A

Fominoben Chemical Properties


IUPAC Name: N-[3-Chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide
Canonical SMILES: CN(CC1=C(C=CC=C1Cl)NC(=O)C2=CC=CC=C2)CC(=O)N3CCOCC3
InChI: InChI=1S/C21H24ClN3O3/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16/h2-9H,10-15H2,1H3,(H,23,27) 
InChIKey: KSNNEUZOAFRTDS-UHFFFAOYSA-N
Molecular Weight: 401.88656 [g/mol]
Molecular Formula: C21H24ClN3O3
XLogP3-AA: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Tautomer Count: 2
Exact Mass: 401.150619
MonoIsotopic Mass: 401.150619
Topological Polar Surface Area: 61.9
Heavy Atom Count: 28
Complexity: 521
EINECS: 241-964-4
Melting Point: 122.75 °C
Index of Refraction: 1.622
Molar Refractivity: 109.76 cm3 
Molar Volume: 311.6 cm3
Surface Tension: 56.8 dyne/cm 
Density: 1.289 g/cm3 
Flash Point: 258.1 °C 
Enthalpy of Vaporization: 77.24 kJ/mol 
Boiling Point: 503.2 °C at 760 mmHg 
Vapour Pressure: 2.96E-10 mmHg at 25 °C 
Classification Code of Fominoben (CAS NO.18053-31-1): Antitussive Agents; Central Nervous System Agents; Respiratory System Agents

Fominoben Specification

 Fominoben (CAS NO.18053-31-1), its Synonyms are 3'-Chloro-2'-(N-methyl-N-((morpholino-carbonyl)methyl)aminomethyl)benzanilide ; 3'-Chloro-alpha-(N-methyl-N-((morpholinocarbonyl)methyl)aminomethyl)benzanilide ; 3'-Chloro-alpha-(methyl((morpholinocarbonyl)methyl)amino)-o-benzotoluidide ; Fominobenum ; Fominobene .

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