cis-4-Aminocyclohexanol

Basic Information

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CAS Number

40525-78-8

Molecular Formula

C6H13NO

Molecular Weight

115.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

SMILES

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N[C@H]1CC[C@@H](O)CC1

InChI

InChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2/t5-,6+

InChIKey

IMLXLGZJLAOKJN-OLQVQODUSA-N

LogP

0.24859999999999977

Topological Polar Surface Area

46.25 Å²

Hydrogen Bond Donor/Acceptor

3 / 2

Complexity

66.9

Synonyms & References

English

cis-4-Aminocyclohexanol
Cis-aminohexanol
(1S,4S)-4-aminocyclohexanol
5-(aminomethyl)isoxazole
5-AMINOMETHYLISOXAZOLE
5-ISOXAZOLEMETHANAMINE
Ambcb2102257
cis 4-amino cyclohexanol
cis-4-(amino)cyclohexanol
cis-4-Amino-cyclohexanol
cis-4-Amino-cyclohexanol-(1)
C-ISOXAZOL-5-YL-METHYLAMINE
cis-p-aminocyclohexanol
CTK4I2581
ISOXAZOL-5-YLMETHANAMINE
Isoxazol-5-yl-methylamine
SureCN469935
trans-4-Aminocyclohexanol
4-Aminocyclohexanol
4-aminocyclohexan-1-ol
Cyclohexanol, 4-amino-
Cyclohexanol, 4-amino-, trans-
(1r,4r)-4-aminocyclohexan-1-ol
trans-4-Hydroxycyclohexylamine
trans-4-Aminocyclohexan-1-ol
(1R,4R)-4-AMINOCYCLOHEXANOL
Cyclohexanol, 4-amino-, cis-
trans-4-Amino-cyclohexanol
4-amino-cyclohexanol
4alpha-Aminocyclohexan-1alpha-ol
trans-4-amino cyclohexanol

MDL Number

MFCD09997786

FAQ

What are the physical and chemical properties of cis-4-Aminocyclohexanol (CAS: 40525-78-8)?

cis-4-Aminocyclohexanol (CAS: 40525-78-8) is a colorless liquid with a molecular weight of 111.16 g/mol. It has a pKa of 10.4 and a boiling point of 203°C. The compound is slightly soluble in water but miscible with ethanol and acetone. It reacts with acids to form N-acyl derivatives and with aldehydes to form hemiacetals. This chemical is used in the synthesis of pharmaceuticals and fragrances.

How is cis-4-Aminocyclohexanol (CAS: 40525-78-8) typically synthesized?

cis-4-Aminocyclohexanol is commonly synthesized by reducing 1,4-cyclohexanedione with sodium borohydride in the presence of a suitable solvent. The process is carried out under mild conditions to achieve high yield and selectivity. This method is preferred due to its simplicity and the ease of purification of the product.

What industries use cis-4-Aminocyclohexanol (CAS: 40525-78-8)?

cis-4-Aminocyclohexanol (CAS: 40525-78-8) is widely used in the pharmaceutical industry for the synthesis of antifungal drugs. It is also utilized in the fragrance industry to produce perfumes and cosmetics. Additionally, it finds applications in the production of resins and plasticizers for coatings and adhesives.

What precautions should be taken when handling cis-4-Aminocyclohexanol (CAS: 40525-78-8)?

When handling cis-4-Aminocyclohexanol (CAS: 40525-78-8), ensure proper ventilation and work in a fume hood to minimize inhalation risks. Wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Store the compound in a cool, dry place away from heat sources and incompatible materials. In case of spill, neutralize with a base and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed safety information.