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5-Azaspiro[4.4]nonan-5-ium chloride , CAS No.98997-63-8

COA

Cas Number: 98997-63-8
Molecular Weight: 161.67
PubChem CID: 86139055

In stock

Item Number

A493727

Grouped product items
SKU	Size	Availability	Price
A493727-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$267.90
A493727-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$434.90
A493727-50g	50g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,734.90
A493727-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10,600.90

Basic Description

Synonyms	5-Azoniaspiro[4.4]nonane Chloride \| 98997-63-8 \| 5-azoniaspiro[4.4]nonane;chloride \| SCHEMBL19212616 \| 5-Azoniaspiro[4.4]nonaneChloride \| YDA99763 \| MFCD30749247 \| D88546
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass N-alkylpyrrolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	N-alkylpyrrolidines
Intermediate Tree Nodes	Not available
Direct Parent	N-alkylpyrrolidines
Alternative Parents	Tetraalkylammonium salts Azacyclic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives Amines
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	N-alkylpyrrolidine - Tetraalkylammonium salt - Quaternary ammonium salt - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Amine - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. 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	5-azoniaspiro[4.4]nonane;chloride
INCHI	InChI=1S/C8H16N.ClH/c1-2-6-9(5-1)7-3-4-8-9;/h1-8H2;1H/q+1;/p-1
InChIKey	HGAIUEUNFDXNNI-UHFFFAOYSA-M
Smiles	C1CC[N+]2(C1)CCCC2.[Cl-]
Isomeric SMILES	C1CC[N+]2(C1)CCCC2.[Cl-]
Molecular Weight	161.67
Reaxy-Rn	3704739
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3704739&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	295 °C
Molecular Weight	161.670 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	161.097 Da
Monoisotopic Mass	161.097 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	79.600
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	2

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