2-(4-Methyl-benzenesulfonyl)ethylamine Hydrochloride - CAS 1093405-12-9
Catalog: |
BB060333 |
Product Name: |
2-(4-Methyl-benzenesulfonyl)ethylamine Hydrochloride |
CAS: |
1093405-12-9 |
Synonyms: |
2-Tosylethan-1-amine Hydrochloride |
IUPAC Name: | 2-(4-methylphenyl)sulfonylethanaminehydrochloride |
Molecular Weight: | 272.19 |
Molecular Formula: | C9H13NO2S·HCl |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)CCN.Cl |
InChI: | InChI=1S/C9H13NO2S.ClH/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,6-7,10H2,1H31H |
InChI Key: | HUUJEVONCPRVBV-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021253568-A1 | Azaindole derivatives as rho-kinase inhibitors | 20180613 |
Complexity: | 235 |
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: | 68.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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