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3-(3-Methoxyphenyl)pyrrolidine hydrochloride - ≥95%, high purity , CAS No.1095545-66-6

COA

Grade & Purity:

≥95%

Cas Number: 1095545-66-6
Molecular Weight: 213.7
PubChem CID: 45073983

In stock

Item Number

P732367

Grouped product items
SKU	Size	Availability	Price	Qty
P732367-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$122.90
P732367-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$208.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Phenylpyrrolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Phenylpyrrolidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrrolidines
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Pyrroles Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-phenylpyrrolidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Pyrrole - Azacycle - Ether - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	3-(3-methoxyphenyl)pyrrolidine;hydrochloride
INCHI	InChI=1S/C11H15NO.ClH/c1-13-11-4-2-3-9(7-11)10-5-6-12-8-10;/h2-4,7,10,12H,5-6,8H2,1H3;1H
InChIKey	RLUNKTWPHYECIL-UHFFFAOYSA-N
Smiles	COC1=CC=CC(=C1)C2CCNC2.Cl
Isomeric SMILES	COC1=CC=CC(=C1)C2CCNC2.Cl
PubChem CID	45073983
Molecular Weight	213.7

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	213.700 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	213.092 Da
Monoisotopic Mass	213.092 Da
Topological Polar Surface Area	21.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	160.000
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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