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18053-31-1

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Basic Information
CAS No.: 18053-31-1
Name: Fominoben
Molecular Structure:
Molecular Structure of 18053-31-1 (Fominoben)
Formula: C21H24 Cl N3 O3
Molecular Weight: 401.893
Synonyms: o-Benzotoluidide,3'-chloro-a-[methyl[(morpholinocarbonyl)methyl]amino]-(8CI); 3'-Chloro-a-[methyl[(morpholinocarbonyl)methyl]amino]-o-benzotoluidide;3'-Chloro-b-[N-methyl-N-[(morpholinocarbonyl)methyl]aminomethyl]benzanilide;Fominoben; N-(2-Benzoylamino-6-chlorobenzyl)-N-methylglycine morpholide; Terion
EINECS: 241-964-4
Density: 1.289g/cm3
Melting Point: 122.5-123°
Boiling Point: 503.2°C at 760 mmHg
Flash Point: 258.1°C
PSA: 61.88000
LogP: 2.89380
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Chemistry


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

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 .