5-Isopropyl-1H-indole

Basic Information

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CAS Number

97820-51-4

Molecular Formula

C11H13N

Molecular Weight

159.23 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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CC(C)C1=CC2=C(C=C1)NC=C2

InChI

InChI=1S/C11H13N/c1-8(2)9-3-4-11-10(7-9)5-6-12-11/h3-8,12H,1-2H3

InChIKey

LBVLQBYXKBTHJA-UHFFFAOYSA-N

LogP

3.2913000000000014

Topological Polar Surface Area

15.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

153

Synonyms & References

English

DTXSID50441661
1H-Indole, 5-(1-methylethyl)-
MFCD13177544
5-(1-Methylethyl)-1H-indole
1H-Indole,5-(1-methylethyl)-(9CI)
97820-51-4
WS-01871
F17759
5-Isopropyl-1H-indole
5-propan-2-yl-1H-indole
5-(2-propyl)indole
LBVLQBYXKBTHJA-UHFFFAOYSA-N
A858608
CS-0029850
SCHEMBL84922

MDL Number

MFCD13177544

FAQ

What is 5-Isopropyl-1H-indole (CAS: 97820-51-4)?

5-Isopropyl-1H-indole is a heterocyclic aromatic organic compound with a molecular formula of C11H12N. It is a derivative of indole with an isopropyl group attached to the 5-position. The compound is characterized by its unique odor and has been used as a fragrance and flavoring agent.

What are the main uses of 5-Isopropyl-1H-indole (CAS: 97820-51-4)?

5-Isopropyl-1H-indole is primarily used as a fragrance and flavoring agent in the perfume and food industries. It is also used in the synthesis of other chemicals and as a research tool in the pharmaceutical and academic sectors.

Is 5-Isopropyl-1H-indole (CAS: 97820-51-4) safe?

5-Isopropyl-1H-indole is generally considered safe for industrial use and food applications. However, it is important to follow safety guidelines, including proper ventilation and protective equipment when handling. Avoid contact with eyes and skin, and store away from heat and open flames.

How should 5-Isopropyl-1H-indole (CAS: 97820-51-4) be stored?

5-Isopropyl-1H-indole should be stored in a cool, dry place away from heat and open flames. It is recommended to use a sealed, airtight container to prevent degradation. Store in a well-ventilated area and avoid exposure to light.