2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile

Basic Information

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CAS Number

52-53-9

Molecular Formula

C27H38N2O4

Molecular Weight

454.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

25°C

Boiling Point

243-246 °C (1.3 Pa)

Flash Point

308.3°C

Refractive Index

1.5448

SMILES

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CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3

InChIKey

SGTNSNPWRIOYBX-UHFFFAOYSA-N

LogP

log Kow = 3.79 at pH 9.0; log Kow = 2.15 at pH 7.0

pKa

8.6(at 25℃)

Complexity

606

Synonyms & References

English

CAS_52-53-9
Isoptimo
D 365
NCGC00016083-07
KBioGR_001372
Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino) propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-
NINDS_000399
NCGC00016083-18
Bio1_001403
Verelan
CP-165331
SBI-0051204.P003
CHEBI:77733
Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-
IDI1_033983
(+-)-Verapamil
EINECS 260-462-6
UNII-CJ0O37KU29
alpha-Isopropyl-alpha-((N-methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile
(+/-)-Verapamil;CP-16533-1
Verapamilo [INN-Spanish]
Covera-HS (Salt/Mix)
AB00053495
CP 16533-1 (Verapamil)
Verapamil (Na-Ca chanel blocker)
Benzeneacetonitrilo, Alfa-[3-[[2-(3,4-dimetoxifenil) etilo] metilamino] propil]-3,4-dimetoxi-alfa-(1-metiletil)-
Calan (TN)
IDI1_000399
NCGC00024710-05
KBio2_002343
5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile

MDL Number

MFCD00056240

FAQ

What is 2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile (CAS: 52-53-9)?

2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile is a complex organic compound used primarily in pharmaceutical research. It has a unique molecular structure with aromatic and nitrogen-containing functional groups.

What are the main uses of 2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile (CAS: 52-53-9)?

This compound is mainly used in pharmaceutical research, particularly in the development of new drugs. It serves as a potential lead compound for further study and modification in drug discovery processes.

Is 2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile (CAS: 52-53-9) safe?

While generally safe under controlled conditions, this compound must be handled with caution due to its chemical nature. Proper protective equipment and appropriate safety protocols should always be followed to ensure safety during handling and use.

How should 2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile (CAS: 52-53-9) be stored?

This compound should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Optimal storage conditions include a temperature range of 15-25°C and a relative humidity below 60%.

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

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Compound Q&A

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Compound Q&A

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Compound Q&A

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2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile | CAS No. 52-53-9

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Boiling Point

Flash Point

Refractive Index

Chemical Properties

SMILES

InChI

InChIKey

LogP

pKa

Complexity

Synonyms & References

English

MDL Number

FAQ

What is 2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile (CAS: 52-53-9)?

What are the main uses of 2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile (CAS: 52-53-9)?

Is 2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile (CAS: 52-53-9) safe?

How should 2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile (CAS: 52-53-9) be stored?

Related Compounds

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