5,5-Dimethyl-3-aminocyclohex-2-enone

Modify Date: 2025-09-12 23:03:38

5,5-Dimethyl-3-aminocyclohex-2-enone structure	Common Name	5,5-Dimethyl-3-aminocyclohex-2-enone
	CAS Number	873-95-0	Molecular Weight	139.195
	Density	1.0±0.1 g/cm3	Boiling Point	216.3±30.0 °C at 760 mmHg
	Molecular Formula	C₈H₁₃NO	Melting Point	165-167
	MSDS	N/A	Flash Point	84.6±24.6 °C

Name	3-Amino-5,5-dimethyl-2-cyclohexen-1-one
Synonym	More Synonyms

Density	1.0±0.1 g/cm3
Boiling Point	216.3±30.0 °C at 760 mmHg
Melting Point	165-167
Molecular Formula	C₈H₁₃NO
Molecular Weight	139.195
Flash Point	84.6±24.6 °C
Exact Mass	139.099716
PSA	43.09000
LogP	0.81
Vapour Pressure	0.1±0.4 mmHg at 25°C
Index of Refraction	1.486
InChIKey	MTZNODTZOSBYJW-UHFFFAOYSA-N
SMILES	CC1(C)CC(=O)C=C(N)C1

5,5-Dimethyl-3-aminocyclohex-2-enone MSDS(Chinese)

Hazard Codes	Xi: Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S37/39
HS Code	2922399090

Dimedone

CAS#:126-81-8

~99%

5,5-Dimethyl-3-...

CAS#:873-95-0

Literature: Bilbao, Estibaliz R.; Alvarado, Mario; Masaguer, Christian F.; Ravina, Enrique Tetrahedron Letters, 2002 , vol. 43, # 19 p. 3551 - 3554

5,5-Dimethyl-cy...

CAS#:3471-13-4

~96%

5,5-Dimethyl-3-...

CAS#:873-95-0

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

3-Nitrobenzaldehyde

CAS#:99-61-6

Dimedone

CAS#:126-81-8

Acetanisole

CAS#:100-06-1

1-(4-methoxyphe...

CAS#:68063-55-8

Detail

Literature: Green Chemistry, , vol. 15, # 7 p. 1910 - 1924

Precursor 4
CAS#:126-81-8 Dimedone CAS#:3471-13-4 5,5-Dimethyl-cy... CAS#:99-61-6 3-Nitrobenzaldehyde CAS#:100-06-1 Acetanisole
DownStream 10
CAS#:106944-52-9 ETHYL 7,7-DIMET... CAS#:55119-00-1 7,7-dimethyl-7,... CAS#:20955-75-3 6,6-Dimethyl-1,... CAS#:21428-65-9 2,2-dibromo-5,5...
CAS#:23674-57-9 N-(5,5-dimethyl... CAS#:126-81-8 Dimedone CAS#:31039-88-0 3-(DIMETHYLAMIN... CAS#:113859-85-1 5,5-dimethyl-3-...
CAS#:36646-78-3 5,5-dimethyl-3-... CAS#:7664-41-7 Ammonia

HS Code	2922399090
Summary	2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose

Name: Anticonvulsant activity in CF1 mouse assessed as protection against subcutaneous pent...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1960838

Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose

Name: Toxicity in CF1 mouse assessed as mortality at 30 mg/kg, ip after 30 mins
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1958621

Name: Toxicity in CF1 mouse assessed as mortality at 30 mg/kg, ip after 4 hrs
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1958620

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: Neurotoxicity in CF1 mouse assessed as muscle spasms at 100 to 300 mg/kg, ip after 30...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1958623

Name: Neurotoxicity in CF1 mouse assessed as myoclonic jerks at 100 mg/kg, ip after 4 hrs b...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1958622

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5,5-Dimethyl-3-aminocyclohex-2-enone

3-Amino-5,5-dimethyl-2-cyclohexen-1-one

MFCD00045531

3-amino-5,5-dimethylcyclohex-2-en-1-one

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5,5-Dimethyl-3-aminocyclohex-2-enone

Names

Chemical & Physical Properties

MSDS

Safety Information

Synthetic Route

Precursor & DownStream

Customs

5,5-Dimethyl-3-aminocyclohex-2-enoneBioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.