2-[3-(Methylsulfonyl)phenyl]ethylamine Hydrochloride - CAS 1073666-57-5
Catalog: |
BB002064 |
Product Name: |
2-[3-(Methylsulfonyl)phenyl]ethylamine Hydrochloride |
CAS: |
1073666-57-5 |
Synonyms: |
2-(3-methylsulfonylphenyl)ethanamine;hydrochloride; 2-(3-methylsulfonylphenyl)ethanamine;hydrochloride |
IUPAC Name: | 2-(3-methylsulfonylphenyl)ethanamine;hydrochloride |
Description: | 2-[3-(Methylsulfonyl)phenyl]ethylamine Hydrochloride (CAS# 1073666-57-5) is a useful research chemical. |
Molecular Weight: | 235.73 |
Molecular Formula: | C9H14ClNO2S |
Canonical SMILES: | CS(=O)(=O)C1=CC=CC(=C1)CCN.Cl |
InChI: | InChI=1S/C9H13NO2S.ClH/c1-13(11,12)9-4-2-3-8(7-9)5-6-10;/h2-4,7H,5-6,10H2,1H3;1H |
InChI Key: | XHQYVBTUMQRDHK-UHFFFAOYSA-N |
LogP: | 3.17440 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2991635-A1 | Neurogenesis-stimulating isoquinoline derivatives | 20130503 |
WO-2014177596-A1 | Neurogenesis-stimulating isoquinoline derivatives | 20130503 |
EP-2922540-A1 | Substituted 1,6-naphthyridines | 20121120 |
WO-2014079787-A1 | Substituted 1,6-naphthyridines | 20121120 |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.0433776 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.0433776 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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