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Home > Encyclopedia > beta-alanine, N-methyl-N-(methylsulfonyl)-

beta-alanine, N-methyl-N-(methylsulfonyl)-

beta-alanine, N-methyl-N-(methylsulfonyl)- structure

beta-alanine, N-methyl-N-(methylsulfonyl)- 

structure
  • CAS No:

    1158736-03-8

  • Formula:

    C5H11NO4S

  • Chemical Name:

    beta-alanine, N-methyl-N-(methylsulfonyl)-

  • Synonyms:

    N-methyl-N-(methylsulfonyl)-beta-alanine;beta-alanine, N-methyl-N-(methylsulfonyl)-;DTXSID50653565;ALBB-012410;9650AC;ZINC32007517;AKOS005173601;N-(Methanesulfonyl)-N-methyl-beta-alanine;3-(Methanesulfonylmethylamino)propanoic acid;3-(N-Methylmethylsulfonamido)propanoic acid

beta-alanine, N-methyl-N-(methylsulfonyl)- Basic Attributes

181

181.04100

DTXSID50653565

2935009090

Characteristics

83.1

0.43330

1.352±0.06 g/cm3(Predicted)

340.8±44.0 °C(Predicted)

Safety Information

IRRITANT

Computed Properties

Molecular Weight:181.21
XLogP3:-1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:181.04087901
Monoisotopic Mass:181.04087901
Topological Polar Surface Area:83.1
Heavy Atom Count:11
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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