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9-benzyl-1,4-dioxa-9-azadispiro[4.2.48.25]tetradecane hydroiodide - 97%, high purity , CAS No.1630906-38-5

COA

Grade & Purity:

≥97%

Cas Number: 1630906-38-5
Molecular Weight: 415.315
PubChem CID: 91800885

In stock

Item Number

B174691

Grouped product items
SKU	Size	Availability	Price	Qty
B174691-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,752.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azaspirodecane derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azaspirodecane derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Azaspirodecane derivatives
Alternative Parents	Phenylmethylamines Benzylamines Ketals Aralkylamines N-alkylpyrrolidines 1,3-dioxolanes Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Azaspirodecane - Benzylamine - Phenylmethylamine - Ketal - Aralkylamine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Meta-dioxolane - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Acetal - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
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	4-benzyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane;hydroiodide
INCHI	InChI=1S/C18H25NO2.HI/c1-2-5-16(6-3-1)15-19-12-4-7-17(19)8-10-18(11-9-17)20-13-14-21-18;/h1-3,5-6H,4,7-15H2;1H
InChIKey	VFSCHGGYQVTCRU-UHFFFAOYSA-N
Smiles	C1CC2(CCC3(CC2)OCCO3)N(C1)CC4=CC=CC=C4.I
Isomeric SMILES	C1CC2(CCC3(CC2)OCCO3)N(C1)CC4=CC=CC=C4.I
PubChem CID	91800885
Molecular Weight	415.315

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	415.300 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	415.101 Da
Monoisotopic Mass	415.101 Da
Topological Polar Surface Area	21.700 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	348.000
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	2

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