Basic information
- CAS
1040688-66-1- Standard SMILES
CCOc1ccc(CNc2cccc(OCc3ccccc3)c2)cc1- InChIKey
XTYCTEIVEITJND-UHFFFAOYSA-N- Molecular formula
- C22H23NO2
- Average molar mass
- 333.4 g/mol
Names & identifiers
- Preferred name
- 3-(Benzyloxy)-N-(4-ethoxybenzyl)aniline
- IUPAC
- N-[(4-ethoxyphenyl)methyl]-3-phenylmethoxyaniline
- English name
- 3-(Benzyloxy)-N-(4-ethoxybenzyl)aniline
- Molecular formula
- C22H23NO2
- Molecular weight
- 333.42
Names & synonyms
3-(BENZYLOXY)-N-(4-ETHOXYBENZYL)ANILINE1040688-66-1N-[(4-ethoxyphenyl)methyl]-3-phenylmethoxyanilineAKOS005299832Benzenemethanamine, 4-ethoxy-N-[3-(phenylmethoxy)phenyl]-
Database identifiers
- CAS
1040688-66-1
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 500.7 · 500.7±40.0 °C(Predicted)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- pka
- 3.59 · 3.59±0.15(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
Chemistry & industry
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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