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3-methanesulfonylpyrrolidine hydrochloride - 97%, high purity , CAS No.1215368-15-2
Discover 3-methanesulfonylpyrrolidine hydrochloride by Aladdin Scientific in 97% for only $205.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1215368-15-2 | 3-(Methylsulfonyl)pyrrolidine hydrochloride | 3-METHANESULFONYLPYRROLIDINE HYDROCHLORIDE | 3-(Methylsulfonyl)pyrrolidine hcl | Pyrrolidine, 3-(methylsulfonyl)-, hydrochloride (1:1) | 3-methylsulfonylpyrrolidine;hydrochloride | 3-Methanesulfonylpyrrolid
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolidines
Alternative Parents
Sulfones Quaternary ammonium salts Dialkylamines Azacyclic compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Pyrrolidine - Quaternary ammonium salt - Sulfone - Sulfonyl - Secondary aliphatic amine - Secondary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic salt - Organic chloride salt - Organic cation - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
3-methylsulfonylpyrrolidine;hydrochloride
INCHI
InChI=1S/C5H11NO2S.ClH/c1-9(7,8)5-2-3-6-4-5;/h5-6H,2-4H2,1H3;1H
InChIKey
LRCGEDCMPFJUSI-UHFFFAOYSA-N
Smiles
CS(=O)(=O)C1CCNC1.Cl
Isomeric SMILES
CS(=O)(=O)C1CCNC1.Cl
Molecular Weight
185.67
Reaxy-Rn
46562561
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=46562561&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
185.670 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
185.028 Da
Monoisotopic Mass
185.028 Da
Topological Polar Surface Area
54.600 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
180.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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