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tert-Butyl 5-chlorospiro[indoline-3，4'-piperidine]-1'-carboxylate - ≥95%, high purity , CAS No.637362-21-1

COA

Grade & Purity:

≥95%

Cas Number: 637362-21-1
Molecular Weight: 322.8
PubChem CID: 46835581

In stock

Item Number

T732832

Grouped product items
SKU	Size	Availability	Price
T732832-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$143.90
T732832-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$356.90
T732832-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,233.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolines
Intermediate Tree Nodes	Not available
Direct Parent	Indolines
Alternative Parents	Piperidinecarboxylic acids Secondary alkylarylamines Aralkylamines Benzenoids Aryl chlorides Carbamate esters Tertiary amines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroindole - Piperidinecarboxylic acid - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl chloride - Aryl halide - Piperidine - Benzenoid - Carbamic acid ester - Tertiary amine - Secondary amine - Azacycle - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
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 5-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
INCHI	InChI=1S/C17H23ClN2O2/c1-16(2,3)22-15(21)20-8-6-17(7-9-20)11-19-14-5-4-12(18)10-13(14)17/h4-5,10,19H,6-9,11H2,1-3H3
InChIKey	YONFPBXPHBCLTK-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC2(CC1)CNC3=C2C=C(C=C3)Cl
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC2(CC1)CNC3=C2C=C(C=C3)Cl
PubChem CID	46835581
Molecular Weight	322.8

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	322.800 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	322.145 Da
Monoisotopic Mass	322.145 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	427.000
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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