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(S)-7-Amino-5-benzyl-4-oxo-5-azaspiro[2.4]heptane - ≥95%, high purity , CAS No.144282-41-7

COA

Grade & Purity:

≥95%

Cas Number: 144282-41-7
Molecular Weight: 216.284
PubChem CID: 11424478

In stock

Item Number

A725961

Grouped product items
SKU	Size	Availability	Price	Qty
A725961-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,218.90
A725961-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,948.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Beta amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Beta amino acids and derivatives
Alternative Parents	Pyrrolidine-2-ones N-alkylpyrrolidines Benzene and substituted derivatives Tertiary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Beta amino acid or derivatives - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon 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	(7S)-7-amino-5-benzyl-5-azaspiro[2.4]heptan-4-one
INCHI	InChI=1S/C13H16N2O/c14-11-9-15(12(16)13(11)6-7-13)8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2/t11-/m1/s1
InChIKey	LHEHAUPMESDYCV-LLVKDONJSA-N
Smiles	C1CC12C(CN(C2=O)CC3=CC=CC=C3)N
Isomeric SMILES	C1CC12[C@@H](CN(C2=O)CC3=CC=CC=C3)N
PubChem CID	11424478
Molecular Weight	216.284

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	216.280 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	216.126 Da
Monoisotopic Mass	216.126 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	292.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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