Basic information
- CAS
107779-32-8- Standard SMILES
COc1cc(N)ccc1OCCCCCOc1ccccc1- InChIKey
PGVJKMZFCSVYHF-UHFFFAOYSA-N- Molecular formula
- C18H23NO3
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.1677936
Names & identifiers
- Preferred name
- m-Anisidine, 4-((5-phenoxypentyl)oxy)-
- IUPAC
- 3-methoxy-4-(5-phenoxypentoxy)aniline
- English name
- 3-methoxy-4-(5-phenoxypentoxy)aniline
- Molecular formula
- C18H23NO3
- Molecular weight
- 301.38
Names & synonyms
107779-32-8m-ANISIDINE, 4-((5-PHENOXYPENTYL)OXY)-M & B 35894-((5-Phenoxypentyl)oxy)-m-anisidineBRN 2815602DTXSID00148239RefChem:351506DTXCID00707303-methoxy-4-(5-phenoxypentoxy)anilineBenzenamine,3-methoxy-4-[(5-phenoxypentyl)oxy]-3-methoxy-4-[(5-phenoxypentyl)oxy]anilineorb1985711
Show more names
Benzenamine, 3-methoxy-4-[(5-phenoxypentyl)oxy]-
AKOS030582760T33187
Database identifiers
- CAS
107779-32-8- PubChem CID
- 60196
- DTXSID
DTXSID00148239
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 47 · 47-48 °C(Solv: chloroform (67-66-3); ligroine (8032-32-4))
- Boiling point
- 474.1 · 474.1±35.0 °C(Predicted)
- Density
- 1.099 · 1.099±0.06 g/cm3(Predicted)
- pka
- 4.79 · 4.79±0.10(Predicted)
Chemistry & industry
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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