4-Octylaniline

• CAS: 16245-79-7
• Catalog Number: ACM16245797
• Category: Amines
• Molecular Weight: 205.34g/mol
• Molecular Formula: C14H23N
• IUPAC Name: 4-octylaniline
• Canonical SMILES: CCCCCCCCC1=CC=C(C=C1)N
• InChI: InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3
• InChI Key: ORKQJTBYQZITLA-UHFFFAOYSA-N
• Boiling Point: 310.0 °C
• Melting Point: 20.0 °C
• Complexity: 136
• Covalently-Bonded Unit Count: 1
• EC Number: 240-358-7
• Exact Mass: 205.18305g/mol
• Formal Charge: 0
• Hazard Statements: H302
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 15
• Monoisotopic Mass: 205.18305g/mol
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 7
• Symbol: GHS07
• UNII: O9FN212WZZ
• XLogP3: 5

Custom Q&A

What is the molecular formula of 4-Octylaniline?

The molecular formula of 4-Octylaniline is C14H23N.

What is the molecular weight of 4-Octylaniline?

The molecular weight of 4-Octylaniline is 205.34 g/mol.

What is the IUPAC name of 4-Octylaniline?

The IUPAC name of 4-Octylaniline is 4-octylaniline.

What is the InChI of 4-Octylaniline?

The InChI of 4-Octylaniline is InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3.

What is the InChIKey of 4-Octylaniline?

The InChIKey of 4-Octylaniline is ORKQJTBYQZITLA-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Octylaniline?

The canonical SMILES of 4-Octylaniline is CCCCCCCCC1=CC=C(C=C1)N.

What is the CAS number of 4-Octylaniline?

The CAS number of 4-Octylaniline is 16245-79-7.

What is the European Community (EC) number of 4-Octylaniline?

The European Community (EC) number of 4-Octylaniline is 240-358-7.

What is the UNII of 4-Octylaniline?

The UNII of 4-Octylaniline is O9FN212WZZ.

Is 4-Octylaniline a canonicalized compound?

Yes, 4-Octylaniline is a canonicalized compound.