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3-Amino-2-cyclohexen-1-one - ≥98% (dry wt.), may cont. up to 5% water, high purity , CAS No.5220-49-5

COA

Grade & Purity:

≥98% (dry wt.)
may cont. up to 5% water

Cas Number: 5220-49-5
Molecular Weight: 111.14
Beilstein Registry Number: 471354
MDL number: MFCD00013783
PubChem CID: 78892
PubChem SID: 488185641

In stock

Item Number

A136183

Grouped product items
SKU	Size	Availability	Price
A136183-1g	1g	5	$10.90
A136183-5g	5g	4	$39.90
A136183-10g	10g	1	$71.90
A136183-25g	25g	3	$120.90
A136183-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$434.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	SCHEMBL355337 \| STK336070 \| 3-Amino-2-cyclohexenone \| EINECS 226-014-9 \| NSC106700 \| NSC-106700 \| 5-Chloro-2-thienyl methyl ketone \| GEO-00109 \| 1R-1064 \| 3-Aminocyclohexenone \| 3-aminocyclohex-enone \| 3-Amino-2-cyclohexen-1-one \| UNII-V596547ZKE \| V59654
Specifications & Purity	≥98% (dry wt.), may cont. up to 5% water
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones
        Level7 Cyclohexenones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Cyclic ketones
Direct Parent	Cyclohexenones
Alternative Parents	Vinylogous amides Enamines Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexenone - Vinylogous amide - Enamine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488185641
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185641
IUPAC Name	3-aminocyclohex-2-en-1-one
INCHI	InChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h4H,1-3,7H2
InChIKey	ZZMRPOAHZITKBV-UHFFFAOYSA-N
Smiles	C1CC(=CC(=O)C1)N
Isomeric SMILES	C1CC(=CC(=O)C1)N
WGK Germany	3
Molecular Weight	111.14
Beilstein	471354
Reaxy-Rn	471354
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471354&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot Number	Certificate Type	Date	Item
I2402069	Certificate of Analysis	Sep 10, 2024	A136183
I2402067	Certificate of Analysis	Sep 10, 2024	A136183
I2402070	Certificate of Analysis	Sep 10, 2024	A136183
I2402059	Certificate of Analysis	Sep 10, 2024	A136183
I2402060	Certificate of Analysis	Sep 10, 2024	A136183
I2402068	Certificate of Analysis	Sep 10, 2024	A136183
L1813170	Certificate of Analysis	May 09, 2024	A136183
C2306582	Certificate of Analysis	Mar 20, 2023	A136183
C2306581	Certificate of Analysis	Mar 16, 2023	A136183
C2306580	Certificate of Analysis	Mar 09, 2023	A136183
L1813169	Certificate of Analysis	Aug 08, 2022	A136183

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Chemical and Physical Properties

Solubility	Soluble in Methanol
Melt Point(°C)	132 °C
Molecular Weight	111.140 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	111.068 Da
Monoisotopic Mass	111.068 Da
Topological Polar Surface Area	43.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	137.000
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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