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Ethanamine,2-(methylsulfonyl)- (49773-20-8)

Identification
Name:Ethanamine,2-(methylsulfonyl)-
Synonyms:2-(Methylsulfonyl)ethan-1-amine;2-(Methylsulfonyl)ethanamine;2-(Methylsulfonyl)ethaneamine;2-(Methylsulfonyl)ethylamine;2-Aminoethyl methyl sulfone;
CAS:49773-20-8
Molecular Formula: C3H9NO2S
Molecular Weight: 122.17
InChI: InChI=1/C8H11NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7,9H2
Molecular Structure: (C3H9NO2S) 2-(Methylsulfonyl)ethan-1-amine;2-(Methylsulfonyl)ethanamine;2-(Methylsulfonyl)ethaneamine;2-(Methyl...
Properties
Flash Point: 176.7°C
Boiling Point: 368.5°Cat760mmHg
Density:1.223g/cm3
Refractive index:1.553
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

Flash Point: 176.7°C
Safety Data
 

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