4-Methyl-1,3-cyclohexanediamine

Basic Information

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CAS Number

13897-55-7

Molecular Formula

C7H16N2

Molecular Weight

128.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Boiling Point

227.68°C (rough estimate)

Refractive Index

1.4740 (estimate)

SMILES

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CC1CCC(CC1N)N

InChI

InChI=1S/C7H16N2/c1-5-2-3-6(8)4-7(5)9/h5-7H,2-4,8-9H2,1H3

InChIKey

QTKDDPSHNLZGRO-UHFFFAOYSA-N

LogP

0.4610000000000001

Topological Polar Surface Area

52.04 Å²

Hydrogen Bond Donor/Acceptor

4 / 2

Complexity

92.9

Synonyms & References

English

4-Methyl-1,3-cyclohexanediamine
NS00052718
2,4-Diamino-1-methylcyclohexane
W-110361
4-Methylcyclohexane-1,3-diamine
DTXSID40884725
EINECS 237-666-9
AKOS006339871
2,4-Cyclohexanediamine, 1-methyl-
1,3-Cyclohexanediamine, 4-methyl-
13897-55-7
2,4-Diaminomethylcyclohexane
SCHEMBL185762
1,3-Cyclohexanediamine,4-methyl-
4-methylcyclohexane-1,3-diamine
1,3-Cyclohexanediamine, 4-methyl- (8CI,9CI)
1-methyl-4-cyclohexanediamine
4-methyl-3-cyclohexanediamine
1-Methyl-2,4-cyclohexanediamine
4-Cyclohexanediamine, 1-methyl-2
Methylcyclohexanediamine (alicyclic amine curing agent chain extender HTDA)

MDL Number

MFCD00036013

FAQ

What are the physical and chemical properties of 4-Methyl-1,3-cyclohexanediamine (CAS: 13897-55-7)?

4-Methyl-1,3-cyclohexanediamine is a colorless liquid with a molecular weight of approximately 130.22 g/mol. It has a solubility of about 15 g/L in water and reacts readily with acids. This compound is crystalline at room temperature and can form a solid form under certain conditions. It is used as a precursor in the synthesis of other chemicals.

How is 4-Methyl-1,3-cyclohexanediamine (CAS: 13897-55-7) typically synthesized?

4-Methyl-1,3-cyclohexanediamine is commonly synthesized via the reduction of 4-methylcyclohexanone oxime using hydrogen or a hydrogenation catalyst such as palladium on carbon. The process typically yields a high purity product with good selectivity and a yield of around 85%. Other methods involve the direct amination of 4-methylcyclohexanone.

What industries use 4-Methyl-1,3-cyclohexanediamine (CAS: 13897-55-7)?

4-Methyl-1,3-cyclohexanediamine is used in various industries, including pharmaceuticals for the synthesis of certain drugs, polymers for plastic and elastomer applications, and sensors for detecting specific chemical compounds. It also plays a role in the development of semiconductors and electronic materials.

What precautions should be taken when handling 4-Methyl-1,3-cyclohexanediamine (CAS: 13897-55-7)?

When handling 4-Methyl-1,3-cyclohexanediamine, it is important to use personal protective equipment such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.