Indoline

• CAS: 496-15-1
• Catalog Number: ACM496151
• Category: Indoles
• Molecular Weight: 119.167g/mol
• Molecular Formula: C8H9N
• Synonyms: AI3-39164; 15617-EP2311829A1; 2,3-dihydro-1 H-indole; aza-indane; 27157-EP2314575A1; Indoline, Vetec(TM) reagent grade, 98%; AC1Q1H8F; DTXSID9052133; 15617-EP2295429A1; 15617-EP2305648A1
• IUPAC Name: 2,3-dihydro-1H-indole
• Canonical SMILES: C1CNC2=CC=CC=C21
• InChI: InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2
• InChI Key: LPAGFVYQRIESJQ-UHFFFAOYSA-N
• Solubility: 0.09 M
• Application: As an indole derivative, Indoline can be used in the preparation of various medicinal compounds such as potential α1-adrenoceptor (α1-AR) antagonists.
• Storage: 2-8°C
• Complexity: 101
• Covalently-Bonded Unit Count: 1
• EC Number: 207-816-8
• Exact Mass: 119.073g/mol
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 9
• Monoisotopic Mass: 119.073g/mol
• Topological Polar Surface Area: 12A^2
• UNII: 6DPT9AB2NK

Custom Q&A

What is the molecular formula of Indoline?

The molecular formula of Indoline is C8H9N.

What is the molecular weight of Indoline?

The molecular weight of Indoline is 119.16 g/mol.

What are some synonyms for Indoline?

Some synonyms for Indoline are 2,3-Dihydro-1H-indole and 1-Azaindan.

When was Indoline created and last modified?

Indoline was created on September 16, 2004, and last modified on December 30, 2023.

What is the IUPAC name of Indoline?

The IUPAC name of Indoline is 2,3-dihydro-1H-indole.

What is the InChIKey of Indoline?

The InChIKey of Indoline is LPAGFVYQRIESJQ-UHFFFAOYSA-N.

What is the Canonical SMILES representation of Indoline?

The Canonical SMILES representation of Indoline is C1CNC2=CC=CC=C21.

What is the XLogP3 value of Indoline?

The XLogP3 value of Indoline is 1.9.

How many hydrogen bond donor counts does Indoline have?

Indoline has 1 hydrogen bond donor count.

How many rotatable bond counts does Indoline have?

Indoline has 0 rotatable bond counts.