N-(2-Aminoethyl)-4-(trifluoromethyl)benzenesulfonamide - CAS 917096-84-5
Catalog: |
BB040327 |
Product Name: |
N-(2-Aminoethyl)-4-(trifluoromethyl)benzenesulfonamide |
CAS: |
917096-84-5 |
Synonyms: |
N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide |
IUPAC Name: | N-(2-aminoethyl)-4-(trifluoromethyl)benzenesulfonamide |
Description: | N-(2-Aminoethyl)-4-(trifluoromethyl)benzenesulfonamide (CAS# 917096-84-5 ) is a useful research chemical. |
Molecular Weight: | 268.26 |
Molecular Formula: | C9H11F3N2O2S |
Canonical SMILES: | C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)NCCN |
InChI: | InChI=1S/C9H11F3N2O2S/c10-9(11,12)7-1-3-8(4-2-7)17(15,16)14-6-5-13/h1-4,14H,5-6,13H2 |
InChI Key: | HOVKSPHQQLXZON-UHFFFAOYSA-N |
MDL: | MFCD10000907 |
LogP: | 3.11440 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
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 |
WO-2015140575-A1 | Enzyme detection method | 20140320 |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.04933326 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.04933326 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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