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4-(4-bromophenyl)piperidin-2-one - 97%, high purity , CAS No.1893051-68-7

COA

Grade & Purity:

≥97%

Cas Number: 1893051-68-7
Molecular Weight: 254.12
PubChem CID: 117209353

In stock

Item Number

P630940

Grouped product items
SKU	Size	Availability	Price
P630940-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$199.90
P630940-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$319.90
P630940-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$533.90
P630940-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$799.90
P630940-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,001.90

Basic Description

Synonyms	4-(4-bromophenyl)piperidin-2-one \| 1893051-68-7 \| MFCD28355965 \| 4-(4-Bromophenyl)-2-piperidinone \| AKOS026716982 \| AS-79631 \| SY251120 \| P20632 \| F2147-4288
Specifications & Purity	≥97%
Shipped In	Normal

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	Piperidinones Delta lactams Bromobenzenes N-acyl amines Vinyl bromides Carboxylic acid amides Bromoalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperidine - Piperidinone - Halobenzene - Delta-lactam - Bromobenzene - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Lactam - Carboxamide group - Azacycle - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic 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	4-(4-bromophenyl)piperidin-2-one
INCHI	InChI=1S/C11H12BrNO/c12-10-3-1-8(2-4-10)9-5-6-13-11(14)7-9/h1-4,9H,5-7H2,(H,13,14)
InChIKey	ADZNIFCNDOFVTP-UHFFFAOYSA-N
Smiles	C1CNC(=O)CC1C2=CC=C(C=C2)Br
Isomeric SMILES	C1CNC(=O)CC1C2=CC=C(C=C2)Br
PubChem CID	117209353
Molecular Weight	254.12

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	254.120 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	253.01 Da
Monoisotopic Mass	253.01 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	211.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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