3-Methyldiphenylamine

• Catalog Number: ACM1205647
• Product Name: 3-Methyldiphenylamine
• CAS: 1205-64-7
• Category: Amines
• IUPAC Name: 3-methyl-N-phenylaniline
• Molecular Weight: 183.25g/mol
• Molecular Formula: C13H13N
• Canonical SMILES: CC1=CC(=CC=C1)NC2=CC=CC=C2
• InChI: InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3
• InChI Key: TWPMMLHBHPYSMT-UHFFFAOYSA-N
• Boiling Point: 316.0 °C
• Melting Point: 30.0 °C
• Complexity: 161
• Covalently-Bonded Unit Count: 1
• EC Number: 214-885-8
• Exact Mass: 183.104799g/mol
• Formal Charge: 0
• Hazard Statements: H301
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 14
• Monoisotopic Mass: 183.104799g/mol
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 2
• Symbol: GHS06
• UNII: 7597YZ9367
• Vapor Pressure: 1.49e-04 mmHg
• XLogP3: 3.8

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-methyl-N-phenylaniline.

What is the molecular formula of the compound?

The molecular formula of the compound is C13H13N.

What is the molecular weight of the compound?

The molecular weight of the compound is 183.25 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3.

What is the InChIKey of the compound?

The InChIKey of the compound is TWPMMLHBHPYSMT-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC1=CC(=CC=C1)NC2=CC=CC=C2.

What is the CAS number of the compound?

The CAS number of the compound is 1205-64-7.

What is the UNII of the compound?

The UNII of the compound is 7597YZ9367.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 3.8.

Is the compound canonicalized?

Yes, the compound is canonicalized.