1-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]ethanone

Base Information

• Chemical Name: 1-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]ethanone
• CAS No.: 58722-33-1
• Molecular Formula: C12H15NO3S
• Molecular Weight: 253.32
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID80354952
• Nikkaji Number: J3.267.477A
• Wikidata: Q82133477
• ChEMBL ID: CHEMBL1418549
• Mol file: 58722-33-1.mol

Synonyms:58722-33-1;1-[4-(pyrrolidin-1-ylsulfonyl)phenyl]ethanone;1-(4-(Pyrrolidin-1-ylsulfonyl)phenyl)ethanone;1-[4-(pyrrolidine-1-sulfonyl)phenyl]ethan-1-one;1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone;1-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-ethanone;MLS000123266;4-Pyrrolydinsulfamyl-acetophenone;BAS 02992798;CHEMBL1418549;SCHEMBL11536910;DTXSID80354952;JYLJULSIFMBCJA-UHFFFAOYSA-N;HMS2455C21;MFCD02261906;STK701516;AKOS000118536;1-(4-Acetylbenzenesulfonyl)pyrrolidine;N-(4-CARBETHOXYPHENYL)MALEAMICACID;NS-03807;SMR000123875;CS-0272084;1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone;EN300-08213;1-(4-(Pyrrolidin-1-ylsulfonyl)phenyl)ethan-1-one;Z45509036

Chemical Property of 1-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]ethanone

Chemical Property:

• Vapor Pressure: 3.88E-07mmHg at 25°C
• Refractive Index: 1.571
• Boiling Point: 416.3°C at 760 mmHg
• Flash Point: 205.5°C
• PSA: 62.83000
• Density: 1.275g/cm³
• LogP: 2.69240
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 253.07726451
• Heavy Atom Count: 17
• Complexity: 371

Purity/Quality:

97% ^*data from raw suppliers

1-(4-(Pyrrolidin-1-ylsulfonyl)phenyl)ethanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2