Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(R)-(+)-Tetrahydro-3-furylamine p-toluenesulfonate salt |
EINECS | N/A |
CAS No. | 111769-27-8 | Density | N/A |
PSA | 98.00000 | LogP | 2.75680 |
Solubility | N/A | Melting Point |
139-141 °C |
Formula | C7H8O3S.C4H9NO | Boiling Point | 452.8 °C at 760 mmHg |
Molecular Weight | 259.326 | Flash Point | 227.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | 22-36/38-43 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(R)-(+)-3-aminotetrahydrofuran toluene-4-sulfonate;(3R)-tetrahydrofuran-3-amine 4-methylbenzenesulfonate; |
Article Data | 2 |
The (R)-(+)-Tetrahydro-3-furylamine p-toluenesulfonate salt, with the CAS registry number 111769-27-8, has the systematic name of 4-methylbenzenesulfonic acid; (3R)-tetrahydrofuran-3-amine. The molecular fomula of the chemical is C7H8O3S.C4H9NO. And while you are dealing with it, please be cautious about it as the following: Do not breathe dust and avoid contact with skin and eyes.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 98 Å2 ; (7)Flash Point: 227.7 °C; (8)Enthalpy of Vaporization: 75.04 kJ/mol; (9)Boiling Point: 452.8 °C at 760 mmHg; (10)Vapour Pressure: 5.46E-09 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N[C@@H]1CCOC1.OS(=O)(=O)c1ccc(C)cc1
(2)InChI: InChI=1/C7H8O3S.C4H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;5-4-1-2-6-3-4/h2-5H,1H3,(H,8,9,10);4H,1-3,5H2/t;4-/m.1/s1
(3)InChIKey: BZXPLADBSZWDIH-FZSMXKCYBL