CAS Registry Number: 76697-50-2

Name:

Benzenamine, 2-​[(1-​methylethyl)​sulfonyl]​-
Aniline, o-​(isopropylsulfonyl)​- (7CI); 2-​(Isopropylsulfonyl)​aniline; 2-​(Isopropylsulfonyl)​benzenamine; 2-​(Propan-​2-​ylsulfonyl)​aniline; 2-​Aminophenyl isopropyl sulfone; [2-​[(Propan-​2-​yl)​sulfonyl]​phenyl]​amine 

Chemical Formula: C9H13NO2S
Exact Mass: 199.07
Molecular Weight: 199.27
m/z: 199.07 (100.0%), 200.07 (10.8%), 201.06 (4.5%)

InChI: InChI=1S/C9H13NO2S/c1-7(2)13(11,12)9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3
InChIKey: GMLAMRMKROYXNZ-UHFFFAOYSA-N
Canonical SMILES : CC(C)S(=O)(=O)C1=CC=CC=C1N

Specification

98%

1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
2. (2) Kwiatkowski, Nicholas; Nature Chemical Biology 2010, V6(5), P359-368 CAPLUS
3. (3) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
4. (4) Courtin, Alfred; Helvetica Chimica Acta 1980, V63(6), P1412-19 CAPLUS