3-(Heptyloxy)-N-[2-(2-methylphenoxy)ethyl]aniline
Basic information
- CAS
1040680-03-2- Standard SMILES
CCCCCCCOc1cccc(NCCOc2ccccc2C)c1- InChIKey
MELBAKYWIYYNLE-UHFFFAOYSA-N- Molecular formula
- C22H31NO2
- Average molar mass
- 341.5 g/mol
Names & identifiers
- Preferred name
- 3-(Heptyloxy)-N-[2-(2-methylphenoxy)ethyl]aniline
- IUPAC
- 3-heptoxy-N-[2-(2-methylphenoxy)ethyl]aniline
- English name
- 3-(Heptyloxy)-N-[2-(2-methylphenoxy)ethyl]aniline
- Molecular formula
- C22H31NO2
- Molecular weight
- 341.49
Names & synonyms
3-(HEPTYLOXY)-N-[2-(2-METHYLPHENOXY)ETHYL]ANILINE1040680-03-23-heptoxy-N-[2-(2-methylphenoxy)ethyl]anilineAKOS005301095Benzenamine, 3-(heptyloxy)-N-[2-(2-methylphenoxy)ethyl]-
Database identifiers
- CAS
1040680-03-2
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 495.4 · 495.4±35.0 °C(Predicted)
- Density
- 1.025 · 1.025±0.06 g/cm3(Predicted)
- pka
- 3.96 · 3.96±0.50(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…