1-azabicyclo[2.2.2]octan-3-amine dihydrochloride

Basic Information

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CAS Number

6530-09-2

Molecular Formula

C7H16Cl2N2

Molecular Weight

199.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

321-323 °C (dec.)

Boiling Point

165.9 °C at 760 mmHg

Density

1.06

Flash Point

51.1℃

SMILES

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C1CN2CCC1C(C2)N.Cl.Cl

InChI

InChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H

InChIKey

STZHBULOYDCZET-UHFFFAOYSA-N

LogP

0.8829

Topological Polar Surface Area

29.259999999999998 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

106

Safety Information

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Hazard Statement

Synonyms & References

English

3-Aminoquinuclidine dihydrochloride, 98%
1-azabicyclo[2.2.2]octan-3-amine dihydrochloride salt
1-Aza-bicyclo[2.2.2]oct-3-ylamine dihydrochloride
(+/-)-3-aminoquinuclidine dihydrochloride
MFCD00137395
SY057220
3-Aminochinuclidin dihydrochloride
Q-100012
AS-17439
(RS)-3-amino-1-azabicyclo[2.2.2]octane dihydrochloride
NSC 93906
SY004709
(R)-3-Aminoquinuclidine diHCl
(S)-3-AMINOQUINUCLIDINE 2HCL
MFCD00191752
EN300-30165
1-Azabicyclo(2.2.2)octan-3-amine, dihydrochloride
Quinuclidine, 3-amino-, dihydrochloride
AS-17565
(RS)-1-azabicyclo[2.2.2]oct-3-ylamine dihydrochloride
1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
3-Aminoquinuclidinedihydrochloride
racemic 1-azabicyclo[2.2.2]oct-3-ylamine dihydrochloride
EINECS 229-424-6
SCHEMBL222752
quinuclidin-3-amine dihydrochloride
(+/-)3-aminoquinuclidine dihydrochloride
BCP32928
FT-0603868
SY002065
FT-0602736

MDL Number

MFCD00137395

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-azabicyclo[2.2.2]octan-3-amine dihydrochloride (CAS: 6530-09-2)?

1-Azabicyclo[2.2.2]octan-3-amine dihydrochloride is a crystalline solid with a molecular weight of approximately 226.8 g/mol. It has a solubility of about 1.4 g/100 mL in water. This compound is moderately reactive and can form complexes with various metal ions. It is often used in organic synthesis and pharmaceutical applications.

How is 1-azabicyclo[2.2.2]octan-3-amine dihydrochloride (CAS: 6530-09-2) typically synthesized?

1-Azabicyclo[2.2.2]octan-3-amine dihydrochloride is typically synthesized via a multi-step reaction involving the formation of azabicyclo[2.2.2]octane followed by amine addition and subsequent chlorination. Commonly, this involves the use of acrylonitrile and cyclopentanone as starting materials, with hydrochloric acid as the final step to form the dihydrochloride salt.

What industries use 1-azabicyclo[2.2.2]octan-3-amine dihydrochloride (CAS: 6530-09-2)?

1-Azabicyclo[2.2.2]octan-3-amine dihydrochloride is used in various industries, including pharmaceuticals, where it serves as a precursor in drug synthesis, and in polymers, where it can enhance certain properties. It is also utilized in the development of sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling 1-azabicyclo[2.2.2]octan-3-amine dihydrochloride (CAS: 6530-09-2)?

When handling 1-azabicyclo[2.2.2]octan-3-amine dihydrochloride, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to avoid inhalation. Spills should be cleaned up with appropriate absorbent materials, and the area should be well-ventilated. Always consult the safety data sheet (SDS) for detailed handling instructions.