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2-phenyl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride - 97%, high purity , CAS No.852338-81-9

COA

Grade & Purity:

≥97%

Cas Number: 852338-81-9
PubChem CID: 23135261

In stock

Item Number

P634682

Grouped product items
SKU	Size	Availability	Price
P634682-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$154.90
P634682-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$247.90
P634682-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$411.90
P634682-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$617.90
P634682-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,091.90

Basic Description

Synonyms	852338-81-9 \| 2-phenyl-2,7-diazaspiro[4.5]decan-1-one hydrochloride \| MFCD08751989 \| 2,7-Diazaspiro[4.5]decan-1-one,2-phenyl-,hydrochloride \| 2,7-Diazaspiro[4.5]decan-1-one, 2-phenyl-, (Hydrochloride) (1:1) \| SCHEMBL5431223 \| AC6948 \| AKOS037631119 \| SY24
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Beta amino acids and derivatives Azaspirodecane derivatives Pyrrolidine-2-ones Piperidines Benzene and substituted derivatives Tertiary carboxylic acid amides Pyrroles Lactams Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Beta amino acid or derivatives - 1-phenylpyrrolidine - Azaspirodecane - Monocyclic benzene moiety - Piperidine - Pyrrolidone - Benzenoid - 2-pyrrolidone - Pyrrole - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Secondary amine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Hydrochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic 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	2-phenyl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
INCHI	InChI=1S/C14H18N2O.ClH/c17-13-14(7-4-9-15-11-14)8-10-16(13)12-5-2-1-3-6-12;/h1-3,5-6,15H,4,7-11H2;1H
InChIKey	VXDTTYLRMFODJC-UHFFFAOYSA-N
Smiles	C1CC2(CCN(C2=O)C3=CC=CC=C3)CNC1.Cl
Isomeric SMILES	C1CC2(CCN(C2=O)C3=CC=CC=C3)CNC1.Cl
PubChem CID	23135261

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	266.760 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	266.119 Da
Monoisotopic Mass	266.119 Da
Topological Polar Surface Area	32.299 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	299.000
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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