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CAS No.: | 6954-69-4 |
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Name: | 2,5-DIMETHYL-4-NITRO ACETANILIDE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C10H12N2O3 |
Molecular Weight: | 208.217 |
Synonyms: | 2',5'-Acetoxylidide,4'-nitro- (6CI);NSC 67711;N-(2,5-dimethyl-4-nitrophenyl)acetamide;Acetamide, N-(2,5-dimethyl-4-nitrophenyl)-; |
Density: | 1.247 g/cm3 |
Melting Point: | 171-171.5℃ (benzene chloroform ) |
Boiling Point: | 381.2 °C at 760 mmHg |
Flash Point: | 184.4 °C |
PSA: | 74.92000 |
LogP: | 2.76620 |
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The Acetamide,N-(2,5-dimethyl-4-nitrophenyl)-, with the CAS registry number 6954-69-4, has the systematic name of N-(2,5-dimethyl-4-nitrophenyl)acetamide. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H12N2O3.
The characteristics of Acetamide,N-(2,5-dimethyl-4-nitrophenyl)- are as followings: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 53.82; (6)ACD/BCF (pH 7.4): 53.82; (7)ACD/KOC (pH 5.5): 603.4; (8)ACD/KOC (pH 7.4): 603.4; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 56.72 cm3; (15)Molar Volume: 166.9 cm3; (16)Polarizability: 22.48×10-24cm3; (17)Surface Tension: 49 dyne/cm; (18)Density: 1.247 g/cm3; (19)Flash Point: 184.4 °C; (20)Enthalpy of Vaporization: 62.95 kJ/mol; (21)Boiling Point: 381.2 °C at 760 mmHg; (22)Vapour Pressure: 5.15E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(c(NC(=O)C)cc1C)C
(2)InChI: InChI=1/C10H12N2O3/c1-6-5-10(12(14)15)7(2)4-9(6)11-8(3)13/h4-5H,1-3H3,(H,11,13)
(3)InChIKey: IPRXWEPMOALPTO-UHFFFAOYAQ