4-Thiomorpholineethanamine,1,1-dioxide supplier

Name
4-(2-AMINOETHYL)THIOMORPHOLINE 1,1-DIOXIDE
EINECS
CAS No. 89937-52-0
Article Data2
CAS DataBase
Density 1.226 g/cm³
Solubility
Melting Point 92 °C
Formula C₆H₁₄N₂O₂S
Boiling Point 372 °C at 760 mmHg
Molecular Weight 178.255
Flash Point 178.8 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Thiomorpholine,4-(2-aminoethyl)-, 1,1-dioxide (7CI);2-(1,1-Dioxothiomorpholin-4-yl)ethylamine;N-(2-Aminoethyl)thiomorpholine-1,1-dioxide;
PSA 71.78000
LogP 0.39450

4-Thiomorpholineethanamine,1,1-dioxide Specification

The 4-Thiomorpholineethanamine,1,1-dioxide, with CAS registry number 89937-52-0, has the systematic name of 2-(1,1-dioxidothiomorpholin-4-yl)ethanamine. Besides this, it is also called 4-(2-Aminoethyl)thiomorpholine 1,1-dioxide. And the chemical formula of this chemical is C₆H₁₄N₂O₂S.

Physical properties of 4-Thiomorpholineethanamine,1,1-dioxide: (1)ACD/LogP: -1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.78; (4)ACD/LogD (pH 7.4): -3.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 44.1 cm³; (15)Molar Volume: 145.3 cm³; (16)Polarizability: 17.48×10^-24cm³; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.226 g/cm³; (19)Flash Point: 178.8 °C; (20)Enthalpy of Vaporization: 61.91 kJ/mol; (21)Boiling Point: 372 °C at 760 mmHg; (22)Vapour Pressure: 9.92E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S1(=O)CCN(CCN)CC1
(2)InChI: InChI=1/C6H14N2O2S/c7-1-2-8-3-5-11(9,10)6-4-8/h1-7H2
(3)InChIKey: NICIHZYGEQHDPN-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H14N2O2S/c7-1-2-8-3-5-11(9,10)6-4-8/h1-7H2
(5)Std. InChIKey: NICIHZYGEQHDPN-UHFFFAOYSA-N

Product Name

4-(2-AMINOETHYL)THIOMORPHOLINE 1,1-DIOXIDE

4-Thiomorpholineethanamine,1,1-dioxide Specification

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