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Name |
3,3'-Dimethyl-N,N'-diacetylbenzidine |
EINECS | N/A |
CAS No. | 3546-11-0 | Density | 1.169 g/cm3 |
PSA | 58.20000 | LogP | 4.03320 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H20N2O2 | Boiling Point | 513.9 °C at 760 mmHg |
Molecular Weight | 296.369 | Flash Point | 185.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4',4'''-Bi-o-acetotoluidide(6CI,7CI,8CI);N,N'-Diacetyl-3,3'-dimethylbenzidine;N,N'-Diacetyl-o-tolidine; |
Article Data | 7 |
This chemical is called 3,3'-Dimethyl-N,N'-diacetylbenzidine, and its IUPAC name is N-[4-(4-acetamido-2-methylphenyl)-3-methylphenyl]acetamide. With the molecular formula of C18H20N2O2, its molecular weight is 296.40. The CAS registry number of this chemical is 3546-11-0, and its classification codes are Mutation data; Tumor data.
Other characteristics of the 3,3'-Dimethyl-N,N'-diacetylbenzidine can be summarised as followings: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 168.77; (6)ACD/BCF (pH 7.4): 168.77; (7)ACD/KOC (pH 5.5): 1367.42; (8)ACD/KOC (pH 7.4): 1367.45; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 89.03 cm3; (15)Molar Volume: 253.4 cm3; (16)Polarizability: 35.29×10-24cm3; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.169 g/cm3; (19)Flash Point: 185.9 °C; (20)Enthalpy of Vaporization: 78.55 kJ/mol; (21)Boiling Point: 513.9 °C at 760 mmHg; (22)Vapour Pressure: 1.13E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(Nc1cc(c(cc1)c2ccc(NC(=O)C)cc2C)C)C
2.InChI: InChI=1/C18H20N2O2/c1-11-9-15(19-13(3)21)5-7-17(11)18-8-6-16(10-12(18)2)20-14(4)22/h5-10H,1-4H3,(H,19,21)(H,20,22)
3.InChIKey: BASVNEYNSWZEGT-UHFFFAOYAP