Quinuclidine | CAS No. 100-76-5

Quinuclidine

Basic Information

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CAS Number

100-76-5

Molecular Formula

C7H13N

Molecular Weight

111.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

157-160 °C

Boiling Point

198.35°C (rough estimate)

Water Solubility

Soluble in alcohol, diethyl ether, water and organic solvents.

Flash Point

STABILITY

Solubility

H2O: very slightly soluble

Refractive Index

1.4500 (estimate)

Vapor Pressure

1.5 mmHg ( 20 °C)

SMILES

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C1CN2CCC1CC2

InChI

InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2

InChIKey

SBYHFKPVCBCYGV-UHFFFAOYSA-N

LogP

1.1021

Topological Polar Surface Area

3.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

71.4

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H310 Fatal in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Air Sensitive

Synonyms & References

English

4-Azabicyclo[2.2.2]octane
CHEMBL1209648
NS00023002
SR-01000944922
J-000219
Chinuclidin
Quinuclidines
PDSP1_000405
CS-W013663
Q0062
Quinuclidine, 97%
Q1864086
QUINUCLIDINE [MI]
SCHEMBL18960
1,4-Ethanopiperidine
ABCO
MFCD00006690
DTXSID2057607
quinuclidine,1-Azabicyclo[2.2.2]octane
Tox21_113847
100-76-5
NSC-168431
InChI=1/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H
CAS-100-76-5
CHEBI:38420
1,4-Ethylenepiperidine
AS-31127
1-azabicyclo[2,2,2]octane
1-Azoniabicyclo[2.2.2]Octane
SR-01000944922-1
A903281

MDL Number

MFCD00006690

FAQ

What is Quinuclidine (CAS: 100-76-5)?

Quinuclidine is a bicyclic amine with the chemical formula C7H13N. It is a colorless liquid with a distinctive odor. Quinuclidine has a range of applications including medicinal chemistry, pharmaceuticals, and research due to its unique properties.

What are the main uses of Quinuclidine (CAS: 100-76-5)?

Quinuclidine is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs, particularly those involved in the treatment of muscarinic receptor-related disorders. It is also used in research for studying muscarinic receptors and in the development of new compounds.

Is Quinuclidine (CAS: 100-76-5) safe?

Quinuclidine can be hazardous if not handled properly. It is important to follow all safety guidelines, including wearing appropriate personal protective equipment, and to ensure proper ventilation. It is also advisable to avoid skin contact and inhalation of vapors. Storage should be in a secure, well-ventilated area, away from open flames and heat sources.

How should Quinuclidine (CAS: 100-76-5) be stored?

Quinuclidine should be stored in a cool, dry place, away from heat and sources of ignition. It should be kept in a tightly sealed container to prevent evaporation and contamination. The storage area should be well-ventilated to minimize the risk of inhalation and to prevent the formation of potentially explosive atmospheres.