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tert-Butyl 2'，4'-dihydro-1'H-spiro[piperidine-4，3'-quinoline]-1-carboxylate - ≥95%, high purity , CAS No.1160247-77-7

COA

Grade & Purity:

≥95%

Cas Number: 1160247-77-7
Molecular Weight: 302.4
PubChem CID: 52982946

In stock

Item Number

T733183

Grouped product items
SKU	Size	Availability	Price	Qty
T733183-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,251.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Hydroquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Hydroquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Hydroquinolines
Alternative Parents	Piperidinecarboxylic acids Secondary alkylarylamines Aralkylamines Benzenoids Carbamate esters Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroquinoline - Piperidinecarboxylic acid - Secondary aliphatic/aromatic amine - Aralkylamine - Piperidine - Benzenoid - Carbamic acid ester - Secondary amine - Azacycle - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen 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	tert-butyl spiro[2,4-dihydro-1H-quinoline-3,4'-piperidine]-1'-carboxylate
INCHI	InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-10-8-18(9-11-20)12-14-6-4-5-7-15(14)19-13-18/h4-7,19H,8-13H2,1-3H3
InChIKey	WADUXZCOHAHPFB-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC2(CC1)CC3=CC=CC=C3NC2
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC2(CC1)CC3=CC=CC=C3NC2
PubChem CID	52982946
Molecular Weight	302.4

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	302.400 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	302.199 Da
Monoisotopic Mass	302.199 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	408.000
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	1

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