4-Amino-1H-indole-6-carbonitrile

Basic Information

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CAS Number

885518-39-8

Molecular Formula

C9H7N3

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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C1=CNC2=CC(=CC(=C21)N)C#N

InChI

InChI=1S/C9H7N3/c10-5-6-3-8(11)7-1-2-12-9(7)4-6/h1-4,12H,11H2

InChIKey

ALWCMYAKSPSBAN-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

217

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-Amino-1H-indole-6-carbonitrile
1H-Indole-6-carbonitrile,4-amino-
1H-Indole-6-carbonitrile,4-amino-(9CI)
4-Amino-6-cyanoindole
AK119707
4288AC
FCH854895
SB15269
ST2418068
AX8245123
4-amino-1H-indole-6-carbonitrile
4-Amino-1H-indole-6-carbonitrile (ACI)
CS-0131075
885518-39-8
DTXSID40646128
AKOS006284064
SCHEMBL21903977
DB-077889
DS-5728

MDL Number

MFCD07357293

FAQ

What is 4-Amino-1H-indole-6-carbonitrile (CAS: 885518-39-8)?

4-Amino-1H-indole-6-carbonitrile (CAS: 885518-39-8) is a chemical compound with the molecular formula C9H8N4. It is a solid at room temperature with a distinctive odor. This compound is primarily used in the synthesis of pharmaceuticals and research due to its structural characteristics.

What are the main uses of 4-Amino-1H-indole-6-carbonitrile (CAS: 885518-39-8)?

4-Amino-1H-indole-6-carbonitrile (CAS: 885518-39-8) is mainly used in the pharmaceutical industry for synthesizing new drugs. It also serves as an intermediate in the development of research compounds and has potential applications in the synthesis of bioactive molecules.

Is 4-Amino-1H-indole-6-carbonitrile (CAS: 885518-39-8) safe?

4-Amino-1H-indole-6-carbonitrile (CAS: 885518-39-8) is generally considered safe when handled with proper precautions. Users should wear appropriate personal protective equipment such as gloves and goggles. It is important to store the compound in a secure, well-ventilated area to avoid inhalation and skin contact.

How should 4-Amino-1H-indole-6-carbonitrile (CAS: 885518-39-8) be stored?

4-Amino-1H-indole-6-carbonitrile (CAS: 885518-39-8) should be stored in a cool, dry place away from direct sunlight and heat. The compound should be kept in a tightly sealed container to prevent degradation and contamination. It is advisable to store it at a temperature below 25°C to ensure its stability and safety.