Basic information
- CAS
861442-57-1- Standard SMILES
CCC(CO)NCc1ccccc1OCc1ccccc1- InChIKey
RBIDXKYFWJTIMW-UHFFFAOYSA-N- Molecular formula
- C18H23NO2
- Average molar mass
- 285.4 g/mol
Names & identifiers
- Preferred name
- 2-{[2-(Benzyloxy)benzyl]amino}butan-1-ol
- IUPAC
- 2-[(2-phenylmethoxyphenyl)methylamino]butan-1-ol
- English name
- 2-{[2-(benzyloxy)benzyl]amino}-1-butanol
- Molecular formula
- C18H23NO2
- Molecular weight
- 285.38
Names & synonyms
2-{[2-(benzyloxy)benzyl]amino}butan-1-ol2-[(2-phenylmethoxyphenyl)methylamino]butan-1-olSTK291235AKOS001477924AKOS0220658432-{[2-(benzyloxy)benzyl]amino}-1-butanolAN-465/422439811-Butanol, 2-[[[2-(phenylmethoxy)phenyl]methyl]amino]-
Database identifiers
- CAS
861442-57-1
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 445 · 445.0±30.0 °C(Predicted)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- pka
- 14.71 · 14.71±0.10(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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