N-Hexylaniline

• CAS: 4746-32-1
• Catalog Number: ACM4746321
• Category: Amines
• Molecular Weight: 177.29
• Molecular Formula: C₁₂H₁₉N
• Synonyms: N-(phenyl)hexylamine; phenylhexylamine; Hexyl-phenyl-amine; (Ph)(nHex)NH; N-n-hexylbenzenamine; N-(hexyl)aniline; n-hexyl phenyl amine
• IUPAC Name: N-hexylaniline
• Canonical SMILES: CCCCCCNC1=CC=CC=C1
• InChI Key: OXHJCNSXYDSOFN-UHFFFAOYSA-N
• Boiling Point: 140-145ºC/15 mmHg
• Flash Point: 110ºC
• Density: 0.8994 g/mL at 25ºC
• Exact Mass: 177.15200
• Hazard Statements: H302
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: 26
• Symbol: GHS07

Custom Q&A

What is the molecular formula of N-Hexylaniline?

The molecular formula of N-Hexylaniline is C12H19N.

When was N-Hexylaniline created in PubChem?

N-Hexylaniline was created in PubChem on 2005-03-27.

What is the IUPAC Name of N-Hexylaniline?

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

What is the molecular weight of N-Hexylaniline?

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

What is the Canonical SMILES representation of N-Hexylaniline?

The Canonical SMILES representation of N-Hexylaniline is CCCCCCNC1=CC=CC=C1.

What is the XLogP3 value of N-Hexylaniline?

The XLogP3 value of N-Hexylaniline is 3.9.

How many hydrogen bond donor counts are in N-Hexylaniline?

N-Hexylaniline has 1 hydrogen bond donor count.

How many rotatable bond counts are in N-Hexylaniline?

N-Hexylaniline has 6 rotatable bond counts.

What is the topological polar surface area of N-Hexylaniline?

The topological polar surface area of N-Hexylaniline is 12Ų.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.