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112522-64-2

Basic Information
CAS No.: 112522-64-2
Name: 4-Acetylamino-N-(2'-aminophenyl)benzamide
Article Data: 8
Molecular Structure:
Molecular Structure of 112522-64-2 (4-Acetylamino-N-(2'-aminophenyl)benzamide)
Formula: C15H14N2O2
Molecular Weight: 269.303
Synonyms: Acetyldinaline;PD 123654;Tacedinaline;CI 994;Goe 5549;
EINECS: 200-256-5
Density: 1.322 g/cm3
Melting Point: 216.1 °C
Boiling Point: 450.6 °C at 760 mmHg
Flash Point: 226.3 °C
Appearance: white
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
PSA: 84.22000
LogP: 3.20670
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Chemistry

The Molecular Structure of 4-Acetylamino-N-(2'-aminophenyl)benzamide (CAS NO.112522-64-2):

Empirical Formula: C15H15N3O2
Molecular Weight: 269.2985 
IUPAC Name: 4-acetamido-N-(2-aminophenyl)benzamide
Classification Code: Combination therapy for selected tumors including non-small cell lung, pancreatic, breast, and colorectal cancers 
Nominal Mass: 269 Da
Average Mass: 269.2985 Da
Monoisotopic Mass: 269.116427 Da 
Index of Refraction: 1.707
Molar Refractivity: 79.33 cm3
Molar Volume: 203.6 cm3
Surface Tension: 64.1 dyne/cm
Density: 1.322 g/cm3
Flash Point: 226.3 °C
Enthalpy of Vaporization: 70.95 kJ/mol
Boiling Point: 450.6 °C at 760 mmHg
Vapour Pressure: 2.6E-08 mmHg at 25°C 
InChI
InChI=1/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
Smiles
c1cc(C(Nc2c(cccc2)N)=O)ccc1NC(=O)C 
Synonyms: Tacedinaline [USAN:INN] ; Acetyldinaline ; Benzamide, 4-(acetylamino)-N-(2-aminophenyl)- ; C.I. 994 ; CI 994 ; CI-994 ; Goe 5549 ; PD 123654 ; Tacedinalina ; Tacedinalina [INN-Spanish] ; Tacedinaline ; UNII-UMF554N5FG