2-Isopropyl-1H-indole

Basic Information

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CAS Number

17790-93-1

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=CC=CC=C2N1

InChI

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

InChIKey

XSRLHGSAMGVDJU-UHFFFAOYSA-N

LogP

3.2913000000000014

Topological Polar Surface Area

15.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

153

Synonyms & References

English

EINECS 241-767-3
MFCD00956701
CS-0120645
2-Isopropyl-1H-indole
W-206249
2-isopropylindole
SCHEMBL2737274
DTXSID20170395
SCHEMBL336690
FT-0740353
NS00025866
2-propan-2-yl-1H-indole
17790-93-1
Isopropylindol
XSRLHGSAMGVDJU-UHFFFAOYSA-N
1H-Indole,2-(1-methylethyl)-
2-isopropyl-1H-indole
2-Isopropyl-indol
2-isopropyl-indole
2-(1-Methylethyl)-1H-indole
1H-Indole,2-(1-methylethyl)-(9CI)

MDL Number

MFCD00956701

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 2-Isopropyl-1H-indole (CAS: 17790-93-1)?

2-Isopropyl-1H-indole (CAS: 17790-93-1) is regulated under the Globally Harmonized System (GHS) for classification and labeling of chemicals, REACH regulations in the European Union, and by the FDA and EPA in the United States for its use in consumer products and industrial applications. Ensure compliance with local and international regulations regarding storage, handling, and disposal.

Are there alternatives to 2-Isopropyl-1H-indole (CAS: 17790-93-1) in synthesis?

Alternative reagents such as 2-methyl-1H-indole and 1-methyl-2-propyl-1H-indole can be used as substitutes in synthesis. These compounds are structurally similar and can serve as viable alternatives depending on the specific reaction conditions and desired product properties.

What is the market or research trend for 2-Isopropyl-1H-indole (CAS: 17790-93-1)?

The market for 2-Isopropyl-1H-indole (CAS: 17790-93-1) is steadily growing due to its application in fragrances, pharmaceuticals, and agrochemicals. Research trends include exploring its use in developing new drugs and natural product analogs. Market dynamics are influenced by cost, availability, and demand for its derivatives.

How should waste containing 2-Isopropyl-1H-indole (CAS: 17790-93-1) be handled?

Waste containing 2-Isopropyl-1H-indole (CAS: 17790-93-1) should be collected in appropriate containers and stored separately. Disposal should follow local regulations, often requiring incineration or professional waste disposal services. Proper environmental protection measures, including proper ventilation and personal protective equipment, should be observed during handling.