3,3'-Dimethyl-N,N'-diacetylbenzidine supplier

Name
3,3'-dimethyl-N,N'-diacetylbenzidine
EINECS
CAS No. 3546-11-0
Article Data7
CAS DataBase
Density 1.169 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₀N₂O₂
Boiling Point 513.9 °C at 760 mmHg
Molecular Weight 296.369
Flash Point 185.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4',4'''-Bi-o-acetotoluidide(6CI,7CI,8CI);N,N'-Diacetyl-3,3'-dimethylbenzidine;N,N'-Diacetyl-o-tolidine;
PSA 58.20000
LogP 4.03320

3,3'-Dimethyl-N,N'-diacetylbenzidine Specification

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

Product Name

3,3'-dimethyl-N,N'-diacetylbenzidine

3,3'-Dimethyl-N,N'-diacetylbenzidine Specification

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