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2-Phenethyl-pyrrolidine - ≥95%, high purity , CAS No.106366-30-7

COA

Grade & Purity:

≥95%

Cas Number: 106366-30-7
Molecular Weight: 175.28
PubChem CID: 3722272

In stock

Item Number

P708836

Grouped product items
SKU	Size	Availability	Price	Qty
P708836-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$809.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Not available
Direct Parent	Aralkylamines
Alternative Parents	Benzene and substituted derivatives Pyrrolidines Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aralkylamine - Benzenoid - Monocyclic benzene moiety - Pyrrolidine - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
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	2-(2-phenylethyl)pyrrolidine
INCHI	InChI=1S/C12H17N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,12-13H,4,7-10H2
InChIKey	COZIXZLDDAZRGK-UHFFFAOYSA-N
Smiles	C1CC(NC1)CCC2=CC=CC=C2
Isomeric SMILES	C1CC(NC1)CCC2=CC=CC=C2
PubChem CID	3722272
Molecular Weight	175.28

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	175.270 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	175.136 Da
Monoisotopic Mass	175.136 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	138.000
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	1

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