2,4,6-Tri-tert-butyl-N-methylaniline

• CAS: 4566-64-7
• Catalog Number: ACM4566647
• Category: Amines
• Molecular Weight: 275.47
• Molecular Formula: C₁₉H₃₃N
• Synonyms: 2,4,6-Tri-tert-butyl-N-methylaniline, 4566-64-7, F0125-1774, ZINC01751890, ACMC-1ARVG, SureCN134320, AC1LTD29, 390992_ALDRICH, CTK4I8908, GFTNLYGZUUPSSM-UHFFFAOYSA-, MolPort-000-659-956, STL019968, 2,4,6-tritert-butyl-N-methylaniline, AKOS002287663, AG-F-58232, MCULE-7219666420, N1-methyl-2,4,6-tri(tert-butyl)aniline, methyl[2,4,6-tris(tert-butyl)phenyl]amine, ST50308669, Benzenamine,2,4,6-tris(1,1-dimethylethyl)-N-methyl-
• IUPAC Name: 2,4,6-tritert-butyl-N-methylaniline
• Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)NC)C(C)(C)C
• InChI Key: GFTNLYGZUUPSSM-UHFFFAOYSA-N
• Boiling Point: 312.2ºC at 760mmHg
• Melting Point: 109-111ºC(lit.)
• Flash Point: 132.8ºC
• Density: 0.891 g/cm³
• Appearance: liquid
• Exact Mass: 275.26100
• Hazard Statements: H315-H318
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• RIDADR: UN 3077 9 / PGIII
• Safety Description: 26-36
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 2,4,6-Tri-tert-butyl-N-methylaniline?

The molecular formula is C19H33N.

When was the compound created and last modified?

It was created on 2005-07-11 and last modified on 2023-11-25.

What is the molecular weight of 2,4,6-Tri-tert-butyl-N-methylaniline?

The molecular weight is 275.5 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2,4,6-tritert-butyl-N-methylaniline.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)NC)C(C)(C)C.

How many hydrogen bond acceptors are in the compound?

There is 1 hydrogen bond acceptor.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 6.9.

What is the topological polar surface area of the compound?

The topological polar surface area is 12Ų.

How many rotatable bond counts are in the compound?

There are 4 rotatable bonds.

Is the compound canonicalized?

Yes, the compound is canonicalized.