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3，3-Dimethyl-3H-spiro[benzo[c]furan-1，4'-piperidine] hydrochloride - ≥95%, high purity , CAS No.1172717-60-0

COA

Grade & Purity:

≥95%

Cas Number: 1172717-60-0
Molecular Weight: 253.77
PubChem CID: 44119400

In stock

Item Number

D690881

Grouped product items
SKU	Size	Availability	Price	Qty
D690881-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$472.90
D690881-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$749.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isocoumarans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isocoumarans
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isocoumarans
Alternative Parents	Isobenzofurans Aralkylamines Piperidines Benzenoids Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isocoumaran - Isobenzofuran - Aralkylamine - Piperidine - Benzenoid - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Oxacycle - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Amine - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.
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-dimethylspiro[2-benzofuran-1,4'-piperidine];hydrochloride
INCHI	InChI=1S/C14H19NO.ClH/c1-13(2)11-5-3-4-6-12(11)14(16-13)7-9-15-10-8-14;/h3-6,15H,7-10H2,1-2H3;1H
InChIKey	WKKLXFVOJPJHAE-UHFFFAOYSA-N
Smiles	CC1(C2=CC=CC=C2C3(O1)CCNCC3)C.Cl
Isomeric SMILES	CC1(C2=CC=CC=C2C3(O1)CCNCC3)C.Cl
PubChem CID	44119400
Molecular Weight	253.77

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	253.770 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	253.123 Da
Monoisotopic Mass	253.123 Da
Topological Polar Surface Area	21.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	268.000
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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