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| CAS No.: | 68412-48-6 |
|---|---|
| Name: | Acetone diphenylamine |
| Molecular Structure: | |
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| Formula: | C12H11N.C3H6O |
| Molecular Weight: | 227.31 |
| Synonyms: | N-Phenylbenzeneamine, 2-propanone reaction product;acetone; N-cyclohexylcyclohexanamine;2-Propanone, reaction products with diphenylamine;Acetone diphenylamine condensation products;Diphenylamine, acetone reaction product;Acetone, diphenylamine condensation product;Rubber Antioxidant BLE;Diphenylamine-acetone reaction prod.;Antioxidant BLE; |
| EINECS: | 270-192-0 |
| Density: | 1.129[at 20℃] |
| Boiling Point: | 302 °C at 760 mmHg |
| Flash Point: | 152.8 °C |
| Solubility: | insoluble in water |
| Appearance: | dark brown viscous liquid |
| PSA: | 29.10000 |
| LogP: | 4.09850 |
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Specification
This chemical is called Acetone diphenylamine, and its systematic name is propan-2-one-N-phenylaniline (1:1). With the molecular formula of C12H11N.C3H6O, its molecular weight is 227.31. The CAS registry number of this chemical is 68412-48-6, and its product category is UVCBs-Organic. In addition, this chemical is dark brown viscous liquid. Usually, it is soluble in acetone, benzene, chloroform, carbon disulfide, ethanol, slightly soluble in gasoline, and insoluble in water.
Other characteristics of the Acetone diphenylamine can be summarised as followings: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 106.33; (6)ACD/BCF (pH 7.4): 106.33; (7)ACD/KOC (pH 5.5): 982.4; (8)ACD/KOC (pH 7.4): 982.42; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 152.8 °C; (14)Enthalpy of Vaporization: 54.22 kJ/mol; (15)Boiling Point: 302 °C at 760 mmHg; (16)Vapour Pressure: 0.00102 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(C)C.c2c(Nc1ccccc1)cccc2
2.InChI: InChI=1/C12H11N.C3H6O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3(2)4/h1-10,13H;1-2H3
3.InChIKey: GZNRISJLOXVOSH-UHFFFAOYAX
4.Std. InChI: InChI=1S/C12H11N.C3H6O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3(2)4/h1-10,13H;1-2H3
5.Std. InChIKey: GZNRISJLOXVOSH-UHFFFAOYSA-N
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