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CAS No.: | 2050-85-3 |
---|---|
Name: | N1-[2-(ACETYLAMINO)PHENYL]ACETAMIDE |
Article Data: | 42 |
Molecular Structure: | |
Formula: | C10H12N2O2 |
Molecular Weight: | 192.217 |
Synonyms: | Acetamide,N,N'-o-phenylenebis- (6CI,7CI,8CI);1,2-Di(acetylamino)benzene;N,N'-Diacetyl-o-phenylenediamine;N-[2-(Acetylamino)phenyl]acetamide;NSC70132;o-Diacetamidophenylene;o-Phenylenediacetamide; |
EINECS: | 218-106-2 |
Density: | 1.235 g/cm3 |
Melting Point: | 183 °C |
Boiling Point: | 464.4 °C at 760 mmHg |
Flash Point: | 210 °C |
PSA: | 58.20000 |
LogP: | 1.74940 |
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The Acetamide,N,N'-1,2-phenylenebis-, with the CAS registry number 2050-85-3, is also known as N,N'-Benzene-1,2-diyldiacetamide. Its EINECS registry number is 218-106-2. This chemical's molecular formula is C10H12N2O2 and molecular weight is 192.21. What's more, its IUPAC name is called N-(2-Acetamidophenyl)acetamide.
Physical properties about Acetamide,N,N'-1,2-phenylenebis- are: (1) ACD/LogP: -0.03; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.03; (4) ACD/LogD (pH 7.4): -0.03; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 22.94; (8) ACD/KOC (pH 7.4): 22.94; (9)#H bond acceptors: 4; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 40.62 Å2; (13) Index of Refraction: 1.621; (14) Molar Refractivity: 54.79 cm3; (15) Molar Volume: 155.5 cm3; (16) Surface Tension: 50.4 dyne/cm; (17) Density: 1.235 g/cm3; (18) Flash Point: 210 °C; (19) Enthalpy of Vaporization: 72.58 kJ/mol; (20) Boiling Point: 464.4 °C at 760 mmHg; (21) Vapour Pressure: 8.37E-09 mmHg at 25 °C; (22) Melting Point: 183 °C.
Preparation of Acetamide,N,N'-1,2-phenylenebis-: this chemical can be prepared by Acetic acid anhydride with Benzene-1,2-diamine. This reaction needs reagent LiCl at ambient temperature. The reaction time is 3 hours. The yield is 90 %.
Uses of Acetamide,N,N'-1,2-phenylenebis-: it is used to produce other chemicals. For example, it is used to produce 2-Methyl-1H-benzoimidazole. The reaction occurs with reagent Anhydrous oxalic acid at temperature of 170-175 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccccc1NC(=O)C)C
(2) InChI: InChI=1/C10H12N2O2/c1-7(13)11-9-5-3-4-6-10(9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)
(3) InChIKey: RLARNJBPODGLAZ-UHFFFAOYAF