3,5-Di-tert-butylaniline

• CAS: 2380-36-1
• Catalog Number: ACM2380361
• Category: Amines
• Molecular Weight: 205.34
• Molecular Formula: C₁₄H₁₇NO
• Synonyms: 3,5-Di-tert-butylaniline, 3,5-ditert-butylaniline, 273104_ALDRICH, EINECS 219-173-0, OWH-BC-0700, MolPort-001-639-138, CID75419, ZINC01841282, Benzenamine, 3,5-bis(1,1-dimethylethyl)-, D2515, 2380-36-1
• IUPAC Name: 3,5-ditert-butylaniline
• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1)N)C(C)(C)C
• InChI Key: MJKNHXCPGXUEDO-UHFFFAOYSA-N
• Boiling Point: 276.6ºC at 760mmHg
• Melting Point: 54-57ºC(lit.)
• Flash Point: 115.6ºC
• Density: 0.912g/cm³
• EC Number: 219-173-0
• Exact Mass: 205.18300
• Hazard Statements: H302
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: 26-37/39
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3,5-Di-tert-butylaniline?

The molecular formula is C14H23N.

What is the molecular weight of 3,5-Di-tert-butylaniline?

The molecular weight is 205.34 g/mol.

What is the IUPAC name of 3,5-Di-tert-butylaniline?

The IUPAC name is 3,5-ditert-butylaniline.

What is the InChI of 3,5-Di-tert-butylaniline?

The InChI is InChI=1S/C14H23N/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,15H2,1-6H3.

What is the InChIKey of 3,5-Di-tert-butylaniline?

The InChIKey is MJKNHXCPGXUEDO-UHFFFAOYSA-N.

What is the canonical SMILES of 3,5-Di-tert-butylaniline?

The canonical SMILES is CC(C)(C)C1=CC(=CC(=C1)N)C(C)(C)C.

What is the CAS number of 3,5-Di-tert-butylaniline?

The CAS number is 2380-36-1.

What is the European Community (EC) number of 3,5-Di-tert-butylaniline?

The European Community (EC) number is 219-173-0.

What is the DSSTox Substance ID of 3,5-Di-tert-butylaniline?

The DSSTox Substance ID is DTXSID80178493.

Is 3,5-Di-tert-butylaniline a canonicalized compound?

Yes, 3,5-Di-tert-butylaniline is a canonicalized compound.