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4-(dimethylamino)-4-(3-fluorophenyl)cyclohexan-1-one - 97%, high purity , CAS No.863514-54-9

COA

Grade & Purity:

≥97%

Cas Number: 863514-54-9
Molecular Weight: 235.3
PubChem CID: 57475111

In stock

Item Number

C634755

Grouped product items
SKU	Size	Availability	Price
C634755-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$57.90
C634755-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$115.90
C634755-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
C634755-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$350.90

Basic Description

Synonyms	863514-54-9 \| 4-(dimethylamino)-4-(3-fluorophenyl)cyclohexan-1-one \| Cyclohexanone, 4-(dimethylamino)-4-(3-fluorophenyl)- \| Cyclohexanone, 4-(3-fluorophenyl)-4-(dimethylamino)- \| SCHEMBL517439 \| MFCD28501828 \| SB13826 \| AS-54200 \| P17623 \| 4-dimethylamino
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Aralkylamines Aryl fluorides Trialkylamines Cyclic ketones Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Ketone - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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-(dimethylamino)-4-(3-fluorophenyl)cyclohexan-1-one
INCHI	InChI=1S/C14H18FNO/c1-16(2)14(8-6-13(17)7-9-14)11-4-3-5-12(15)10-11/h3-5,10H,6-9H2,1-2H3
InChIKey	KBSNWMBGOWOJDD-UHFFFAOYSA-N
Smiles	CN(C)C1(CCC(=O)CC1)C2=CC(=CC=C2)F
Isomeric SMILES	CN(C)C1(CCC(=O)CC1)C2=CC(=CC=C2)F
PubChem CID	57475111
Molecular Weight	235.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	235.300 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	235.137 Da
Monoisotopic Mass	235.137 Da
Topological Polar Surface Area	20.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	280.000
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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