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Cas Database |
| Name |
(R*,R*)-3-Chloro-alpha-[1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol |
EINECS | N/A |
| CAS No. | 92264-82-9 | Density | 1.078 g/cm3 |
| PSA | 32.26000 | LogP | 3.54090 |
| Solubility | N/A | Melting Point |
52-53°C |
| Formula | C13H20ClNO | Boiling Point | 347.2 °C at 760 mmHg |
| Molecular Weight | 241.761 | Flash Point | 163.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzenemethanol,3-chloro-a-[1-[(1,1-dimethylethyl)amino]ethyl]-,(R*,R*)-; |
Article Data | 5 |
(R*,R*)-3-Chloro-alpha-[1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol Specification
The (R*,R*)-3-Chloro-alpha-[1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol with its cas register number is 92264-82-9. It also can be called as Benzenemethanol,3-chloro-a-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]-,(aR)-rel- and the Systematic name about this chemical is 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol. It belongs to the Bupropion.
Physical properties about (R*,R*)-3-Chloro-alpha-[1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol are: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 5.5): -0.16; (3)ACD/LogD (pH 7.4): 0.87; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 8.6; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 12.47Å2; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 68.91 cm3; (14)Molar Volume: 224.2 cm3; (15)Polarizability: 27.32x10-24cm3; (16)Surface Tension: 37.3 dyne/cm; (17)Enthalpy of Vaporization: 62.42 kJ/mol; (18)Vapour Pressure: 2.07E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1)C(O)C(NC(C)(C)C)C
(2)InChI: InChI=1/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3
(3)InChIKey: NDPTTXIBLSWNSF-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3
(5)Std. InChIKey: NDPTTXIBLSWNSF-UHFFFAOYSA-N
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