4-Hexylaniline

• CAS: 33228-45-4
• Catalog Number: ACM33228454
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 177.29
• Molecular Formula: C12H19N
• IUPAC Name: 4-hexylaniline
• Canonical SMILES: CCCCCCC1=CC=C(C=C1)N
• InChI: InChI=1S/C12H19N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6,13H2,1H3
• InChI Key: OVEMTTZEBOCJDV-UHFFFAOYSA-N
• Boiling Point: 285 °C
• Density: Light Sensitive,Air Sensitive,Heat Sensitive
• Appearance: Colorless to Light yellow to Light orange clear liquid
• Storage: Store under inert gas,0-10°C
• Complexity: 114
• Covalently-Bonded Unit Count: 1
• EC Number: 251-409-8
• Exact Mass: 177.15175g/mol
• Formal Charge: 0
• Hazard Statements: H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 13
• LogP: 4.21 (LogP)
• MDL Number: MFCD00007927
• Monoisotopic Mass: 177.15175g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ 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.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.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.
• Refractive Index: 1.52
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 5
• Signal Word: Warning
• Solubility In Water: Insoluble
• Symbol: GHS07
• UNII: U3C0879ZGC
• XLogP3: 3.9

Custom Q&A

What is the molecular formula of 4-Hexylaniline?

The molecular formula of 4-Hexylaniline is C12H19N.

When was 4-Hexylaniline created?

4-Hexylaniline was created on March 27, 2005.

What is the IUPAC Name of 4-Hexylaniline?

The IUPAC Name of 4-Hexylaniline is 4-hexylaniline.

What is the InChIKey of 4-Hexylaniline?

The InChIKey of 4-Hexylaniline is OVEMTTZEBOCJDV-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Hexylaniline?

The Canonical SMILES of 4-Hexylaniline is CCCCCCC1=CC=C(C=C1)N.

What is the molecular weight of 4-Hexylaniline?

The molecular weight of 4-Hexylaniline is 177.29 g/mol.

What is the XLogP3 value of 4-Hexylaniline?

The XLogP3 value of 4-Hexylaniline is 3.9.

How many hydrogen bond donor counts are there in 4-Hexylaniline?

There is 1 hydrogen bond donor count in 4-Hexylaniline.

How many rotatable bond counts are there in 4-Hexylaniline?

There are 5 rotatable bond counts in 4-Hexylaniline.

Is the compound canonicalized for 4-Hexylaniline?

Yes, the compound is canonicalized for 4-Hexylaniline.