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| CAS No.: | 143062-84-4 |
|---|---|
| Name: | (1R,2S)-FLUOROCYCLOPROPYLAMINE TOSYLATE |
| Molecular Structure: | |
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| Formula: | C7H8O3S.C3H6FN |
| Molecular Weight: | 247.29 |
| Synonyms: | (1R,2S)-2-Fluorocyclopropanamine 4-methylbenzenesulfonate; |
| EINECS: | 802-120-6 |
| Boiling Point: | 418.2 °C at 760 mmHg |
| Flash Point: | 206.7 °C |
| PSA: | 88.77000 |
| LogP: | 3.07830 |
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Specification
The (1R,2S)-2-Fluorocyclopropylamine tosylate with the cas number 143062-84-4 is also called (1R,2S)-2-Fluorocyclopropanamine 4-methylbenzenesulfonate. The systematic name is 4-methylbenzenesulfonato(2-) - 2-fluorocyclopropanaminato(2-) (1:1). Its molecular formula is C7H8O3S.C3H6FN. This chemical is a kind of intermediates.
The properties of the chemical are: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 88.77 Å2; (11)Enthalpy of Vaporization: 70.82 kJ/mol; (12)Vapour Pressure: 9.65×10-8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC1CC1N.OS(=O)(=O)c1ccc(C)cc1
(2)InChI: InChI=1/C7H8O3S.C3H6FN/c1-6-2-4-7(5-3-6)11(8,9)10;4-2-1-3(2)5/h2-5H,1H3,(H,8,9,10);2-3H,1,5H2
(3)InChIKey: XUWZMHVPMZXIRU-UHFFFAOYAT