4-tert-Butylaniline

• Catalog Number: ACM769926
• Product Name: 4-tert-Butylaniline
• CAS: 769-92-6
• Category: Amines
• Synonyms: p-tert-Butylaniline, 4-tert-Butylaniline, 4-t-Butylbenzeneamine, 209864_ALDRICH, EINECS 212-215-9, SBB007738, ZINC04692849, Benzenamine, 4-(1,1-dimethylethyl)-, FR-0226, TL806325, 769-92-6
• IUPAC Name: 4-tert-butylaniline
• Molecular Weight: 149.23
• Molecular Formula: C₁₀H₁₅N
• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)N
• InChI Key: WRDWWAVNELMWAM-UHFFFAOYSA-N
• Boiling Point: 90-93ºC (3 mmHg)
• Melting Point: 15-16ºC
• Flash Point: 101ºC
• Density: 0.937
• Appearance: Clear slight brown liquid.
• EC Number: 212-215-9
• Exact Mass: 149.12000
• Hazard Statements: H302
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Packing Group: I; II; III
• RIDADR: UN 2735PSN1 8 / PGII
• Safety Description: S26-S36
• Stability: Stable under normal temperatures and pressures.
• Symbol: GHS07
• WGK Germany: 2

Custom Q&A

What is the PubChem CID of 4-tert-Butylaniline?

PubChem CID 69861.

What is the molecular formula of 4-tert-Butylaniline?

The molecular formula is C10H15N.

What is the molecular weight of 4-tert-Butylaniline?

The molecular weight is 149.23 g/mol.

What is the IUPAC name of 4-tert-Butylaniline?

The IUPAC name is 4-tert-butylaniline.

What is the InChI of 4-tert-Butylaniline?

The InChI is InChI=1S/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3.

What is the InChIKey of 4-tert-Butylaniline?

The InChIKey is WRDWWAVNELMWAM-UHFFFAOYSA-N.

What is the canonical SMILES of 4-tert-Butylaniline?

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

What is the CAS number of 4-tert-Butylaniline?

The CAS number is 769-92-6.

What is the XLogP3 value of 4-tert-Butylaniline?

The XLogP3 value is 2.7.

Is 4-tert-Butylaniline a canonicalized compound?

Yes, 4-tert-Butylaniline is a canonicalized compound.