4-Heptylaniline

• Catalog Number: ACM37529274
• Product Name: 4-Heptylaniline
• CAS: 37529-27-4
• Category: Amines
• IUPAC Name: 4-heptylaniline
• Molecular Weight: 191.32
• Molecular Formula: C13H21N
• Canonical SMILES: CCCCCCCC1=CC=C(C=C1)N
• InChI: InChI=1S/C13H21N/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7,14H2,1H3
• InChI Key: BNEWZYZRLNNWNR-UHFFFAOYSA-N
• Boiling Point: 286 °C
• Density: Air Sensitive
• Appearance: Colorless to Yellow to Orange clear liquid
• Storage: Store under inert gas
• Complexity: 125
• Covalently-Bonded Unit Count: 1
• Exact Mass: 191.1674g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 14
• MDL Number: MFCD00007928
• Monoisotopic Mass: 191.1674g/mol
• Precautionary Statements: 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.
• Refractive Index: 1.52
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 6
• Signal Word: Warning
• Symbol: GHS07
• XLogP3: 4.5

Custom Q&A

What is the molecular formula of 4-Heptylaniline?

The molecular formula of 4-Heptylaniline is C13H21N.

What is the molecular weight of 4-Heptylaniline?

The molecular weight of 4-Heptylaniline is 191.31 g/mol.

What is the IUPAC name of 4-Heptylaniline?

The IUPAC name of 4-Heptylaniline is 4-heptylaniline.

What is the InChI of 4-Heptylaniline?

The InChI of 4-Heptylaniline is InChI=1S/C13H21N/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7,14H2,1H3.

What is the InChIKey of 4-Heptylaniline?

The InChIKey of 4-Heptylaniline is BNEWZYZRLNNWNR-UHFFFAOYSA-N.

What is the canonical SMILES representation of 4-Heptylaniline?

The canonical SMILES representation of 4-Heptylaniline is CCCCCCCC1=CC=C(C=C1)N.

What is the CAS number of 4-Heptylaniline?

The CAS number of 4-Heptylaniline is 37529-27-4.

What is the XLogP3 value of 4-Heptylaniline?

The XLogP3 value of 4-Heptylaniline is 4.5.

How many hydrogen bond donor counts does 4-Heptylaniline have?

4-Heptylaniline has 1 hydrogen bond donor count.

How many rotatable bond counts does 4-Heptylaniline have?

4-Heptylaniline has 6 rotatable bond counts.