4-Butylaniline

• CAS: 104-13-2
• Catalog Number: ACM104132
• Category: Amines
• Molecular Weight: 149.23
• Molecular Formula: C10H15N
• Synonyms: P-Aminobutylbenzene
• IUPAC Name: 4-butylaniline
• Canonical SMILES: CCCCC1=CC=C(C=C1)N
• InChI: InChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3
• InChI Key: OGIQUQKNJJTLSZ-UHFFFAOYSA-N
• Boiling Point: 133-134 ºC
• Melting Point: -14 ºC
• Density: 0.945 g/ml
• Appearance: Clear yellow to slightly brown liquid
• Storage: Store under inert gas
• Complexity: 93
• Covalently-Bonded Unit Count: 1
• EC Number: 203-177-4
• Exact Mass: 149.120449g/mol
• Formal Charge: 0
• Hazard Statements: H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 11
• LogP: 3.05 (LogP)
• MDL Number: MFCD00007925
• Monoisotopic Mass: 149.120449g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.
• Refractive Index: 1.54
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 3
• Signal Word: Warning
• Specific Gravity: 0.94
• Symbol: GHS07
• XLogP3: 3

Custom Q&A

What is the molecular formula of 4-Butylaniline according to the reference?

The molecular formula of 4-Butylaniline is C10H15N.

What is the molecular weight of 4-Butylaniline?

The molecular weight of 4-Butylaniline is 149.23 g/mol.

What is the IUPAC name of 4-Butylaniline?

The IUPAC name of 4-Butylaniline is 4-butylaniline.

What is the InChI of 4-Butylaniline?

The InChI of 4-Butylaniline is InChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3.

What is the InChIKey of 4-Butylaniline?

The InChIKey of 4-Butylaniline is OGIQUQKNJJTLSZ-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Butylaniline?

The canonical SMILES of 4-Butylaniline is CCCCC1=CC=C(C=C1)N.

What is the CAS number of 4-Butylaniline?

The CAS number of 4-Butylaniline is 104-13-2.

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

The European Community (EC) number of 4-Butylaniline is 203-177-4.

What is the ChEMBL ID of 4-Butylaniline?

The ChEMBL ID of 4-Butylaniline is CHEMBL3181902.

Is 4-Butylaniline a covalently-bonded unit?

Yes, 4-Butylaniline is a covalently-bonded unit.