3-Amino-2-cyclohexenone
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 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-amino-2-cyclohexen-1-one |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
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 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~98%
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-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-cyclo... CAS#:5220-49-5 |
| Literature: Baraldi, P. G.; Simoni, D.; Manfredini, S. Synthesis, 1983 , # 11 p. 902 - 903 |
|
~82%
3-Amino-2-cyclo... CAS#:5220-49-5 |
| Literature: E. I. Du Pont de Nemours and Company Patent: US5149874 A1, 1992 ; |
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~%
Detail
Learn More
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| Literature: Sajiki, Hironao; Ikawa, Takashi; Hirota, Kosaku Organic Process Research and Development, 2005 , vol. 9, # 2 p. 219 - 220 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 10 | |
CAS#:106960-78-5
CAS#:1006-51-5
CAS#:53400-41-2
CAS#:56798-21-1
CAS#:143261-90-9
CAS#:188067-03-0
CAS#:77903-18-5
CAS#:2657-87-6
CAS#:5057-12-5This table lists relevant public references with title, journal and publication metadata for this compound.
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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 ... |
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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 (... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Anticonvulsant activity in mouse assessed as inhibition of pentylenetetrazole-induced...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1021554
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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
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Name: Anticonvulsant activity in CF1 mouse assessed as protection against maximal electrosh...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1960837
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Name: Neurotoxicity in CF1 mouse at 100 mg/kg, ip by rotarod test
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1958617
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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
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Name: Neurotoxicity in CF1 mouse at 300 mg/kg, ip after 30 mins by rotarod test
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1958618
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Name: Anticonvulsant activity in CF1 mouse assessed as protection against subcutaneous pent...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1960838
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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
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 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 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 3-amino-2-cyclohexen-1-one have? |
| A: English synonyms of 3-amino-2-cyclohexen-1-one: 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. |
| Q: What is the molecular formula of 3-amino-2-cyclohexen-1-one? |
| A: Molecular formula of 3-amino-2-cyclohexen-1-one is C6H9NO. |
| Q: What is the InChIKey of 3-amino-2-cyclohexen-1-one? |
| A: InChIKey of 3-amino-2-cyclohexen-1-one is ZZMRPOAHZITKBV-UHFFFAOYSA-N. |
| Q: What is the CAS number of 3-amino-2-cyclohexen-1-one? |
| A: CAS number of 3-amino-2-cyclohexen-1-one is 5220-49-5. |
| Q: What are the upstream materials of 3-amino-2-cyclohexen-1-one? |
| A: Related upstream materials(CAS) of 3-amino-2-cyclohexen-1-one: 504-02-9;591-27-5;108-45-2;75-05-8. |
| Q: What is the boiling point of 3-amino-2-cyclohexen-1-one? |
| A: Boiling point of 3-amino-2-cyclohexen-1-one is 212.4±30.0 °C at 760 mmHg. |
| Q: What are the downstream products of 3-amino-2-cyclohexen-1-one? |
| A: Related downstream products(CAS) of 3-amino-2-cyclohexen-1-one: 106960-78-5;1006-51-5;53400-41-2;56798-21-1;143261-90-9;188067-03-0;77903-18-5;2657-87-6;591-27-5;5057-12-5. |
| Q: What is the LogP of 3-amino-2-cyclohexen-1-one? |
| A: LogP of 3-amino-2-cyclohexen-1-one is -0.22. |
| Q: What is the SMILES notation of 3-amino-2-cyclohexen-1-one? |
| A: SMILES notation of 3-amino-2-cyclohexen-1-one is NC1=CC(=O)CCC1. |
| Q: What is the English name of 3-amino-2-cyclohexen-1-one? |
| A: The English name of 3-amino-2-cyclohexen-1-one is 3-amino-2-cyclohexen-1-one. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |