4-Phenylazepane

Basic Information

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CAS Number

73252-01-4

Molecular Formula

C12H17N

Molecular Weight

175.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

279.3°C at 760 mmHg

Density

0.95

Flash Point

125.1°C

Refractive Index

1.513

SMILES

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C1CC(CCNC1)C2=CC=CC=C2

InChI

InChI=1S/C12H17N/c1-2-5-11(6-3-1)12-7-4-9-13-10-8-12/h1-3,5-6,12-13H,4,7-10H2

InChIKey

AHKQOPMYYACTFC-UHFFFAOYSA-N

LogP

2.5437000000000003

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

138

Synonyms & References

English

NSC400455
AHKQOPMYYACTFC-UHFFFAOYSA-N
SB38490
F2184-0219
1H-Azepine, hexahydro-4-phenyl-, (4S)-
A837766
FT-0768952
Q4637194
VU0490385-1
F16666
AS-47880
DTXSID00993988
AKOS009493114
SCHEMBL2300489
J-515943
BB 0260180
4-PHENYL-AZEPANE
Z425362306
4-Phenylazepane
73252-01-4
EN300-66433
MFCD08060059
NSC 400455
4-phenyl-perhydro-azepine
4-PHENYL-AZEPANE HCL
hexahydro-4-phenyl-1H-Azepine
1H-Azepine,hexahydro-4-phenyl
4-phenylazepane(SALTDATA: HCl)
4-Phenylazepanehydrochloride
4-PHENYLHEXAMETHYLENEIMINE
4-Phenyl-azepane

MDL Number

MFCD08060059

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Phenylazepane (CAS: 73252-01-4)?

4-Phenylazepane (CAS: 73252-01-4) is a crystalline compound with a molecular weight of approximately 176.19 g/mol. It is sparingly soluble in water but soluble in organic solvents such as methanol and acetone. Chemically, it exhibits basic properties due to the azepane nitrogen. It is stable under normal conditions but can react with strong acids and bases.

How is 4-Phenylazepane (CAS: 73252-01-4) typically synthesized?

4-Phenylazepane is typically synthesized via a multistep process involving the condensation of a primary amine with a chloroarene followed by ring closure. Commonly, this involves the reaction of 2-phenylethanamine with chlorobenzene in the presence of a base like sodium hydroxide, followed by ring closure using a catalyst such as p-toluenesulfonic acid. The yield and selectivity can be improved by optimizing reaction conditions.

What industries use 4-Phenylazepane (CAS: 73252-01-4)?

4-Phenylazepane (CAS: 73252-01-4) is used in various industries including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. It is also used in the polymer industry for the development of new materials, and in the semiconductor industry for manufacturing sensors and other electronic components.

What precautions should be taken when handling 4-Phenylazepane (CAS: 73252-01-4)?

When handling 4-Phenylazepane (CAS: 73252-01-4), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood to minimize inhalation risks. Spills should be cleaned up carefully following standard laboratory procedures. Refer to the Material Safety Data Sheet (MSDS) for detailed safety information.