CAS No.111769-27-8,R(+)-3-AMINOTETRAHYDROFURAN TOLUENE-4-SU Suppliers

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Basic Information

Molecular Structure:
CAS No.:	111769-27-8
Name:	R(+)-3-AMINOTETRAHYDROFURAN TOLUENE-4-SU
Article Data:	2

Formula:	C₇H₈O₃S^.C₄H₉NO
Molecular Weight:	259.326
Synonyms:	(R)-(+)-3-aminotetrahydrofuran toluene-4-sulfonate;(3R)-tetrahydrofuran-3-amine 4-methylbenzenesulfonate;
Melting Point:	139-141 °C
Boiling Point:	452.8 °C at 760 mmHg
Flash Point:	227.7 °C
Risk Codes:	22-36/38-43
Safety:	22-24/25
PSA:	98.00000
LogP:	2.75680

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Specification

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