Skip to the beginning of the images gallery

1-Phenyl-3-azabicyclo[3.1.0]hexane-2，4-dione - ≥95%, high purity , CAS No.66503-91-1

COA

Grade & Purity:

≥95%

Cas Number: 66503-91-1
Molecular Weight: 187.19
PubChem CID: 150846

In stock

Item Number

P695959

Grouped product items
SKU	Size	Availability	Price
P695959-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$511.90
P695959-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,068.90
P695959-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,136.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Phenylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Phenylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperidines
Alternative Parents	Phenylpyrrolidines Piperidinediones Delta lactams Pyrrolidine-2-ones Benzene and substituted derivatives Pyrroles N-unsubstituted carboxylic acid imides Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylpiperidine - 3-phenylpyrrolidine - Piperidinedione - Piperidinone - Delta-lactam - Benzenoid - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Pyrrolidine - Pyrrole - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Lactam - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
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	1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
INCHI	InChI=1S/C11H9NO2/c13-9-8-6-11(8,10(14)12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13,14)
InChIKey	GBKKVNBNBVUCIV-UHFFFAOYSA-N
Smiles	C1C2C1(C(=O)NC2=O)C3=CC=CC=C3
Isomeric SMILES	C1C2C1(C(=O)NC2=O)C3=CC=CC=C3
PubChem CID	150846
Molecular Weight	187.19

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	187.190 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	187.063 Da
Monoisotopic Mass	187.063 Da
Topological Polar Surface Area	46.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	306.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

1-Phenyl-3-azabicyclo[3.1.0]hexane-2，4-dione - ≥95%, high purity , CAS No.66503-91-1

Basic Description