2-[2-(Methylsulfonyl)phenyl]ethylamine - CAS 933705-18-1
Catalog: |
BB040871 |
Product Name: |
2-[2-(Methylsulfonyl)phenyl]ethylamine |
CAS: |
933705-18-1 |
Synonyms: |
2-(2-methylsulfonylphenyl)ethanamine; 2-(2-methylsulfonylphenyl)ethanamine |
IUPAC Name: | 2-(2-methylsulfonylphenyl)ethanamine |
Description: | 2-[2-(Methylsulfonyl)phenyl]ethylamine (CAS# 933705-18-1 ) is a useful research chemical. |
Molecular Weight: | 199.27 |
Molecular Formula: | C9H13NO2S |
Canonical SMILES: | CS(=O)(=O)C1=CC=CC=C1CCN |
InChI: | InChI=1S/C9H13NO2S/c1-13(11,12)9-5-3-2-4-8(9)6-7-10/h2-5H,6-7,10H2,1H3 |
InChI Key: | KZCCTNYYIOIHOP-UHFFFAOYSA-N |
LogP: | 2.37240 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-1539753-B1 | Pyrazolo(3,4-b)pyridine compounds, and their use as phosphodiesterase inhibitors | 20020916 |
WO-2004024728-A2 | Pyrazolo[3,4-b]pyridine compounds, and their use as phosphodiesterase inhibitors | 20020916 |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.06669983 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.06669983 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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