3-Amino-2-cyclohexenone

Modify Date: 2025-08-24 10:44:08

3-Amino-2-cyclohexenone Structure
3-Amino-2-cyclohexenone structure
Common Name 3-Amino-2-cyclohexenone
CAS Number 5220-49-5 Molecular Weight 111.142
Density 1.1±0.1 g/cm3 Boiling Point 212.4±30.0 °C at 760 mmHg
Molecular Formula C6H9NO Melting Point 129-133 °C(lit.)
MSDS Chinese USA Flash Point 82.3±24.6 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 3-amino-2-cyclohexen-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 212.4±30.0 °C at 760 mmHg
Melting Point 129-133 °C(lit.)
Molecular Formula C6H9NO
Molecular Weight 111.142
Flash Point 82.3±24.6 °C
Exact Mass 111.068413
PSA 43.09000
LogP -0.22
Vapour Pressure 0.2±0.4 mmHg at 25°C
Index of Refraction 1.520
InChIKey ZZMRPOAHZITKBV-UHFFFAOYSA-N
SMILES NC1=CC(=O)CCC1

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S26-S36
RIDADR NONH for all modes of transport
WGK Germany 3

 Synthetic Route

~98%

3-Amino-2-cyclohexenone Structure

3-Amino-2-cyclo...

CAS#:5220-49-5

Literature: Zhao, Yuanhong; Zhao, Jingfeng; Zhou, Yongyun; Lei, Ze; Li, Liang; Zhang, Hongbin New Journal of Chemistry, 2005 , vol. 29, # 6 p. 769 - 772

~94%

3-Amino-2-cyclohexenone Structure

3-Amino-2-cyclo...

CAS#:5220-49-5

Literature: Sajiki, Hironao; Ikawa, Takashi; Hirota, Kosaku Organic Process Research and Development, 2005 , vol. 9, # 2 p. 219 - 220

~84%

3-Amino-2-cyclohexenone Structure

3-Amino-2-cyclo...

CAS#:5220-49-5

Literature: Baraldi, P. G.; Simoni, D.; Manfredini, S. Synthesis, 1983 , # 11 p. 902 - 903

~82%

3-Amino-2-cyclohexenone Structure

3-Amino-2-cyclo...

CAS#:5220-49-5

Literature: E. I. Du Pont de Nemours and Company Patent: US5149874 A1, 1992 ;

~%

Detail
Literature: Sajiki, Hironao; Ikawa, Takashi; Hirota, Kosaku Organic Process Research and Development, 2005 , vol. 9, # 2 p. 219 - 220

 Articles2

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Synthesis and evaluation of antifungal properties of a series of the novel 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and its analogues.

Bioorg. Med. Chem. 15 , 6705-15, (2007)

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 ...

Enaminones 8: CoMFA and CoMSIA studies on some anticonvulsant enaminones.

Bioorg. Med. Chem. 17 , 133-40, (2009)

3D-QSAR studies comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were carried out on 26 structurally diverse subcutaneous pentylenetetrazol (...

 3-Amino-2-cyclohexenoneBioassay

View more

Name: Anticonvulsant activity in mouse assessed as inhibition of pentylenetetrazole-induced...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1021554
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Anticonvulsant activity in CF1 mouse assessed as protection against maximal electrosh...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1960837
Name: Neurotoxicity in CF1 mouse at 100 mg/kg, ip by rotarod test
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1958617
Name: Neurotoxicity in CF1 mouse assessed as muscle spasms at 100 mg/kg, ip by rotarod test
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1958616
Name: Neurotoxicity in CF1 mouse at 300 mg/kg, ip after 30 mins by rotarod test
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1958618
Name: Anticonvulsant activity in CF1 mouse assessed as protection against subcutaneous pent...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1960838
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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 Synonyms

3-aminocyclohex-2-en-1-one
3-Amino-2-cyclohexen-1-one
EINECS 226-014-9
3-Amino-2-cyclohexenone
3-Aminocyclohex-2-enone
MFCD00013783
3-Aminocyclohex-2-en-1-on
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