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239372

Sigma-Aldrich

3-Amino-2-cyclohexen-1-one

99%

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About This Item

Linear Formula:
H2NC6H7O
CAS Number:
5220-49-5
Molecular Weight:
111.14
Beilstein:
471354
EC Number:
226-014-9
MDL number:
MFCD00013783
UNSPSC Code:
12352100
PubChem Substance ID:
24854373
NACRES:
NA.22

Assay

99%

mp

129-133 °C (lit.)

SMILES string

NC1=CC(=O)CCC1

InChI

1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h4H,1-3,7H2

InChI key

ZZMRPOAHZITKBV-UHFFFAOYSA-N

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Application

3-Amino-2-cyclohexen-1-one was used in the synthesis of a series of 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitriles.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

239372-5G:
239372-VAR:
239372-25G:
239372-BULK:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Patrice L Jackson et al.
Bioorganic & medicinal chemistry, 17(1), 133-140 (2008-12-09)
3D-QSAR studies comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were carried out on 26 structurally diverse subcutaneous pentylenetetrazol (scPTZ) active enaminone analogues, previously synthesized in our laboratory. CoMFA and CoMSIA were employed to generate models
Atul R Gholap et al.
Bioorganic & medicinal chemistry, 15(21), 6705-6715 (2007-09-04)
A series of 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and various analogues have been synthesized in excellent isolated yields starting from various arylidenemalononitrile and 3-amino-2-cyclohexen-1-one in 1-propanol as solvent at reflux temperature in the absence of any added catalyst. All the synthesized compounds were evaluated

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