N-Allylcyclohexanamine

Basic Information

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CAS Number

6628-00-8

Molecular Formula

C9H17N

Molecular Weight

139.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

65-66 °C/12 mmHg

Density

0.962 g/mL at 25 °C

Refractive Index

n20/D 1.4664(lit.)

Vapor Pressure

1.1±0.3 mmHg at 25°C

SMILES

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C=CCNC1CCCCC1

InChI

InChI=1S/C9H17N/c1-2-8-10-9-6-4-3-5-7-9/h2,9-10H,1,3-8H2

InChIKey

SQGBZKZDUMBTIJ-UHFFFAOYSA-N

LogP

2.0947

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

92.9

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

ALLYLCYCLOHEXYLAMINE
ACETAMIDE,N-[2-[(2-CYANO-6-IODO-4-NITROPHENYL)AZO]-5-(DIETHYLAMINO)-4-METHOXYPHENYL]-
Allylcylcohexylamine
N-prop-2-enylcyclohexanamine
allyl-cyclohexylamine
cyclohexylallylamine
cyclohexylprop-2-enylamine
N-(2-propenyl)cyclohexanamine
n-allylcyclohexanamine
N-Allylcyclohexylamine
N-Allyl-N-cyclohexylamin
N-allyl-N-cyclohexylamine
N-vinylmethylcyclohexylamine

MDL Number

MFCD00003836

Customs Code

2921300090

FAQ

What are the physical and chemical properties of N-Allylcyclohexanamine (CAS: 6628-00-8)?

N-Allylcyclohexanamine (CAS: 6628-00-8) is a crystalline compound with a molecular weight of approximately 162.24 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. It is a primary amine and reacts readily with carboxylic acids and carbonyl compounds. This compound is also known for its low toxicity and good biocompatibility.

How is N-Allylcyclohexanamine (CAS: 6628-00-8) typically synthesized?

N-Allylcyclohexanamine (CAS: 6628-00-8) is synthesized via the allylation of cyclohexylamine using allyl chloride in the presence of a base such as potassium carbonate. The reaction is typically performed in various organic solvents, and the yield can be up to 90% with good selectivity.

What industries use N-Allylcyclohexanamine (CAS: 6628-00-8)?

N-Allylcyclohexanamine (CAS: 6628-00-8) finds applications in the pharmaceutical industry, particularly in the synthesis of certain drugs. It is also used in the polymer industry for the modification of polymers and in the development of sensors and semiconductors due to its amine functionality and allyl group.

What precautions should be taken when handling N-Allylcyclohexanamine (CAS: 6628-00-8)?

When handling N-Allylcyclohexanamine (CAS: 6628-00-8), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, use appropriate spill cleanup procedures and consult the Safety Data Sheet (SDS) for specific instructions.