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Cas Database

Name	2-Aminoethylmethyl sulfone	EINECS	N/A
CAS No.	49773-20-8	Density	1.223g/cm³
PSA	68.54000	LogP	0.77080
Solubility	N/A	Melting Point	N/A
Formula	C₃H₉NO₂S	Boiling Point	368.5°Cat760mmHg
Molecular Weight	123.176	Flash Point	176.7°C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	2-(Methylsulfonyl)ethan-1-amine;2-(Methylsulfonyl)ethanamine;2-(Methylsulfonyl)ethaneamine;2-(Methylsulfonyl)ethylamine;2-Aminoethyl methyl sulfone;	Article Data	13

2-Aminoethylmethyl sulfone Synthetic route

: 2274-42-2
methanesulfonyl-acetonitrile

: 49773-20-8
2-Methanesulfonyl-ethylamine

Conditions

Conditions	Yield
Stage #1: methanesulfonyl-acetonitrile With dimethylsulfide borane complex In tetrahydrofuran at 20 - 40℃; for 14h; Stage #2: With methanol In tetrahydrofuran at 0 - 80℃; for 2h; Reflux;	90%
With dimethylsulfide borane complex In tetrahydrofuran

: 2-<2-(methylsulfonyl)ethyl>-1H-isoindole-1,3(2H)dione

: 49773-20-8
2-Methanesulfonyl-ethylamine

Conditions

Conditions	Yield
With hydrazine In ethanol; chloroform at 0 - 20℃;	80%

BH3·THF: BH3·THF

: 2274-42-2
methanesulfonyl-acetonitrile

: 49773-20-8
2-Methanesulfonyl-ethylamine

Conditions

Conditions	Yield
With hydrogenchloride; sodium methylate In tetrahydrofuran; methanol; dichloromethane	77.89%

: 191604-52-1
2-methylsulfonylethyl methanesulfonate

: 49773-20-8
2-Methanesulfonyl-ethylamine

Conditions

Conditions	Yield
With ammonia In dichloromethane at 45℃; under 1500.15 Torr; for 3h; Pressure; Temperature; Inert atmosphere;	66.9%

: 50890-51-2
2-chloroethyl methyl sulfone

A: 49773-20-8
2-Methanesulfonyl-ethylamine

B: bis-(2-methanesulfonyl-ethyl)-amine

Conditions

Conditions	Yield
With ammonia

: methyl-(2-nitro-ethyl)-sulfone

: 49773-20-8
2-Methanesulfonyl-ethylamine

Conditions

Conditions	Yield
With methanol; nickel Hydrogenation;

: 18542-42-2
(2-aminoethyl)methylsulfide

KMnO4: KMnO4

: 49773-20-8
2-Methanesulfonyl-ethylamine

: 50890-51-2
2-chloroethyl methyl sulfone

A: 49773-20-8
2-Methanesulfonyl-ethylamine

B β.β'-bis-methanesulfonyl-diethylamine: β.β'-bis-methanesulfonyl-diethylamine

Conditions

Conditions	Yield
With ammonia

: 202197-68-0
[2-(methylsulfonyl)ethyl]trifluoroacetamide

: 49773-20-8
2-Methanesulfonyl-ethylamine

Conditions

Conditions	Yield
Alkaline hydrolysis;

: 146698-94-4
(2-methanesulfonyl-ethyl)-carbamic acid benzyl ester

: 49773-20-8
2-Methanesulfonyl-ethylamine

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol

2-Aminoethylmethyl sulfone Specification

The 2-Aminoethylmethyl sulfone with the cas number 49773-20-8 is also called 3-Aminopropane-1-sulfinate. The IUPAC name is 2-methylsulfonylethanamine and the systematic name is Ethanamine, 2-(methylsulfonyl)-. The molecular formula of this chemical is C₃H₉NO₂S. Its product category is API intermediates. It is potent stimulator of ATP-dependent calcium uptake.

Properties Computed from Structure: (1)XLogP3-AA: -1.3; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 2; (5)Exact Mass: 123.035399; (6)MonoIsotopic Mass: 123.035399; (7)Topological Polar Surface Area: 68.5; (8)Heavy Atom Count: 7; (9)Formal Charge: 0; (10)Complexity: 120; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CS(=O)(=O)CCN
(2)InChI: InChI=1S/C3H9NO2S/c1-7(5,6)3-2-4/h2-4H2,1H3
(3)InChIKey: SDNXQWUJWNTDCC-UHFFFAOYSA-N

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