N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide - CAS 174291-96-4
Catalog: |
BB013000 |
Product Name: |
N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide |
CAS: |
174291-96-4 |
Synonyms: |
N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide; N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide |
IUPAC Name: | N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide |
Description: | N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide (CAS# 174291-96-4 ) is a useful research chemical. |
Molecular Weight: | 268.38 |
Molecular Formula: | C13H20N2O2S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2N |
InChI: | InChI=1S/C13H20N2O2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h6-9,12-13,15H,2-5,14H2,1H3/t12-,13-/m1/s1 |
InChI Key: | VVOFSHARRCJLLA-CHWSQXEVSA-N |
Melting Point: | 105-109 °C |
Storage: | Keep in dark place. Inert atmosphere. Room temperature. |
LogP: | 3.71520 |
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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2018093943-A1 | Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV | 20150327 |
WO-2016157058-A1 | Processes and intermediates for preparing a macrocyclic protease inhibitor of hcv | 20150327 |
US-2014094609-A1 | Process for the preparation of an hiv integrase inhibitor | 20121003 |
EP-2773611-B1 | Method for producing optically active -hydroxy- -aminocarboxylic acid ester | 20111031 |
US-2014296562-A1 | Method for producing optically active beta-hydroxy-alpha-aminocarboxylic acid ester | 20111031 |
PMID | Publication Date | Title | Journal |
16136246 | 20050921 | A remarkably effective catalyst for the asymmetric transfer hydrogenation of aromatic ketones in water and air | Chemical communications (Cambridge, England) |
Complexity: | 356 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.12454906 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.12454906 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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