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1-(3-Chloro-2-methylphenyl)pyrrolidine - 97%, high purity , CAS No.1020253-09-1
Discover 1-(3-Chloro-2-methylphenyl)pyrrolidine by Aladdin Scientific in 97% for only $2,219.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1-(3-CHLORO-2-METHYLPHENYL)PYRROLIDINE | 1020253-09-1 | DTXSID60674428 | VQB25309 | MFCD09972165 | AKOS006310704 | BS-19176 | CS-0207859 | Pyrrolidine, 1-(3-chloro-2-methylphenyl)-
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Dialkylarylamines Aniline and substituted anilines Aminotoluenes Chlorobenzenes Aryl chlorides Pyrroles Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyrrole - Tertiary amine - Azacycle - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine 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
1-(3-chloro-2-methylphenyl)pyrrolidine
INCHI
InChI=1S/C11H14ClN/c1-9-10(12)5-4-6-11(9)13-7-2-3-8-13/h4-6H,2-3,7-8H2,1H3
InChIKey
YJEJQJIFRRQPGO-UHFFFAOYSA-N
Smiles
CC1=C(C=CC=C1Cl)N2CCCC2
Isomeric SMILES
CC1=C(C=CC=C1Cl)N2CCCC2
Molecular Weight
195.7
Reaxy-Rn
49655387
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=49655387&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
195.690 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
195.081 Da
Monoisotopic Mass
195.081 Da
Topological Polar Surface Area
3.200 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
165.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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