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

Basic Information

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CAS Number

873-95-0

Molecular Formula

C8H13NO

Molecular Weight

139.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

164.0 to 168.0 deg-C

SMILES

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CC1(CC(=CC(=O)C1)N)C

InChI

InChI=1S/C8H13NO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5,9H2,1-2H3

InChIKey

MTZNODTZOSBYJW-UHFFFAOYSA-N

LogP

1.2181

Topological Polar Surface Area

43.09 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

191

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Oprea1_593220
CHEMBL1958268
NSC176345
DTXSID70236278
3-amino-5,5-dimethyl-2-cyclohexen- 1-one
SCHEMBL111923
3-Amino-5,5-dimethyl-cyclohex-2-enone
3-Amino-5,5-dimethyl-2-cyclohexenone
Z57154079
SY050797
1-amino- 5,5-dimethyl-cyclohexen-3-one
3-amino-5,5-dimethylcyclohex-2-en-1-one
EN300-18077
AS-62663
CS-0199484
MFCD00045531
3-Amino-5,5-dimethyl-2-cyclohexene-1-one
HMS1788H01
NSC-176345
2-Cyclohexenone,3-amino,5,5-dimethyl-
3-Amino-5,5-dimethyl-2-cyclohexen-1-one
873-95-0
MTZNODTZOSBYJW-UHFFFAOYSA-N
NSC 176345
1-amino- 5,5-dimethylcyclohexen-3-one
A1300
3-amino-5,5-dimethylcyclohex-2-enone
2-Cyclohexenone, 3-amino-5,5-dimethyl-
AKOS001115947
5,5-Dimethyl-3-aminocyclohex-2-enone
FT-0614997

MDL Number

MFCD00045531

Customs Code

2922399090

FAQ

What is 3-Amino-5,5-dimethyl-2-cyclohexen-1-one (CAS: 873-95-0)?

3-Amino-5,5-dimethyl-2-cyclohexen-1-one, also known as 2-(2,3-dimethylcyclohex-1-en-1-yl)acetonitrile, is a cyclic amine compound with a distinctive odor. It has the CAS number 873-95-0 and is used in pharmaceuticals and organic synthesis.

What are the main uses of 3-Amino-5,5-dimethyl-2-cyclohexen-1-one (CAS: 873-95-0)?

3-Amino-5,5-dimethyl-2-cyclohexen-1-one is primarily used as a precursor in organic synthesis, particularly in the pharmaceutical industry for the production of various drugs. It is also utilized in research and development for chemical synthesis and as a flavor enhancer in certain food applications.

Is 3-Amino-5,5-dimethyl-2-cyclohexen-1-one (CAS: 873-95-0) safe?

3-Amino-5,5-dimethyl-2-cyclohexen-1-one is generally considered safe for use in controlled conditions. However, it should be handled with caution due to its potential irritancy. Protective measures include wearing appropriate personal protective equipment, ensuring good ventilation, and avoiding inhalation or contact with skin and eyes. Proper training and safety guidelines should be followed.

How should 3-Amino-5,5-dimethyl-2-cyclohexen-1-one (CAS: 873-95-0) be stored?

3-Amino-5,5-dimethyl-2-cyclohexen-1-one should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a sealed container to prevent moisture absorption. Store it at room temperature (15-25°C) and avoid exposure to temperatures above 30°C to maintain its stability and effectiveness.