3-Methylindole

• CAS: 83-34-1
• Catalog Number: ACM83341
• Category: Other Products
• Molecular Weight: 131.17
• Molecular Formula: C9H9N
• Synonyms: Scatole
• IUPAC Name: 3-Methyl-1H-indole
• Canonical SMILES: CC1=CNC2=CC=CC=C12
• InChI: InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
• InChI Key: ZFRKQXVRDFCRJG-UHFFFAOYSA-N
• Boiling Point: 265-266 °C(lit.)
• Melting Point: 92-97 °C(lit.)
• Flash Point: 132 °C
• Density: 1.0111 g/cm³
• Solubility: Soluble in water, ether, alcohols, benzene, acetone, chloroform
• Appearance: Solid
• Storage: Store below +30 °C
• Complexity: 122
• Defined Atom Stereocenter Count: 0
• Exact Mass: 131.073499291
• Formal Charge: 0
• Hazard Statements: Xi,N
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Monoisotopic Mass: 131.073499291
• pKa: 17.30±0.30(Predicted)
• Refractive Index: 1.6070
• Rotatable Bond Count: 0
• Safety Description: 26-36-61
• Supplemental Hazard Statements: H370-H315-H319-H335-H411-H303
• Symbol: GHS09,GHS07,GHS08
• Topological Polar Surface Area: 15.8 Ų
• XLogP3-AA: 2.6

Custom Q&A

What is the molecular formula of 3-Methylindole?

The molecular formula of 3-Methylindole is C9H9N.

What is the molecular weight of 3-Methylindole?

The molecular weight of 3-Methylindole is 131.17 g/mol.

What is the IUPAC name of 3-Methylindole?

The IUPAC name of 3-Methylindole is 3-methyl-1H-indole.

What is the InChI of 3-Methylindole?

The InChI of 3-Methylindole is InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3.

What is the InChIKey of 3-Methylindole?

The InChIKey of 3-Methylindole is ZFRKQXVRDFCRJG-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Methylindole?

The canonical SMILES of 3-Methylindole is CC1=CNC2=CC=CC=C12.

What is the CAS number of 3-Methylindole?

The CAS number of 3-Methylindole is 83-34-1.

What is the FEMA number of 3-Methylindole?

The FEMA number of 3-Methylindole is 3019.

What is the ChEMBL ID of 3-Methylindole?

The ChEMBL ID of 3-Methylindole is CHEMBL1329793.

What is the Wikipedia page of 3-Methylindole?

The Wikipedia page of 3-Methylindole is Skatole.