3-Benzyl-3-azabicyclo[3.1.0]hexane

Basic Information

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CAS Number

70110-45-1

Molecular Formula

C12H15N

Molecular Weight

173.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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C1C2C1CN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C12H15N/c1-2-4-10(5-3-1)7-13-8-11-6-12(11)9-13/h1-5,11-12H,6-9H2

InChIKey

OQEHGZOASMRNJW-UHFFFAOYSA-N

LogP

2.1383

Topological Polar Surface Area

3.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

174

Synonyms & References

English

OQEHGZOASMRNJW-UHFFFAOYSA-N
70110-45-1
AS-41350
FT-0692079
SY125089
AKOS006325850
DTXSID20522350
CS-0047454
VCA11045
3-Benzyl-3-aza-bicyclo[3.1.0]hexane
A850280
MFCD11226945
3-Benzyl-3-azabicyclo[3.1.0]hexane
3-Benzyl-3-azabicyclo[3.1.0]hexane,
AMY26164
SCHEMBL1021817
3-(benzyl)-3-azabicyclo(3.1.0)hexane
3-benzyl-3-azabicyclo(3.1.0)hexane
AGN-PC-00L5R2
AK-89914
ANW-67153
CTK8C1738
KB-29907
SureCN1021817
3-benzyl-3-azabicyclo[3.1.0]hexane

MDL Number

MFCD31689350

FAQ

What is 3-Benzyl-3-azabicyclo[3.1.0]hexane (CAS: 70110-45-1)?

3-Benzyl-3-azabicyclo[3.1.0]hexane (CAS: 70110-45-1) is a bicyclic amine with a benzyl substituent. It is a colorless liquid with a characteristic odor. This compound is used as a precursor in the synthesis of various pharmaceuticals and as a chelating agent in industrial applications.

What are the main uses of 3-Benzyl-3-azabicyclo[3.1.0]hexane (CAS: 70110-45-1)?

3-Benzyl-3-azabicyclo[3.1.0]hexane (CAS: 70110-45-1) is primarily used in the pharmaceutical industry as a key intermediate in the synthesis of antipsychotic drugs. It also serves as a chelating agent in industrial applications, particularly in water treatment and metal surface cleaning.

Is 3-Benzyl-3-azabicyclo[3.1.0]hexane (CAS: 70110-45-1) safe?

3-Benzyl-3-azabicyclo[3.1.0]hexane (CAS: 70110-45-1) is generally considered safe when handled properly. However, it should be used with caution due to its flammability. It is important to follow all safety guidelines, including the use of appropriate personal protective equipment and proper ventilation.

How should 3-Benzyl-3-azabicyclo[3.1.0]hexane (CAS: 70110-45-1) be stored?

3-Benzyl-3-azabicyclo[3.1.0]hexane (CAS: 70110-45-1) should be stored in a cool, dry place, away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent evaporation and contamination. Storage temperature should not exceed 30°C (86°F), and the container should be kept closed at all times.