Basic information
- CAS
17191-58-1- Standard SMILES
CCCC1(c2cccc(O)c2)CN(CCc2ccc(N)cc2)C1- InChIKey
BEWSBBJIGKWVBO-UHFFFAOYSA-N- Molecular formula
- C20H26N2O
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.20451346
Names & identifiers
- Preferred name
- Phenol, 3-(1-(p-aminophenethyl)-3-propyl-3-azetidinyl)-
- IUPAC
- 3-[1-[2-(4-aminophenyl)ethyl]-3-propylazetidin-3-yl]phenol
- English name
- 1-(4-Aminophenethyl)-3-propyl-3-(3-hydroxyphenyl)azetidine
- Molecular formula
- C20H26N2O
- Molecular weight
- 310.43
Names & synonyms
17191-58-1Phenol, 3-(1-(p-aminophenethyl)-3-propyl-3-azetidinyl)-1-(p-Aminophenethyl)-3-(m-hydroxyphenyl)-3-propylazetidineAzetidine, 1-(p-aminophenethyl)-3-(m-hydroxyphenyl)-3-propyl-DTXSID60169187RefChem:369106DTXCID70916783-[1-[2-(4-aminophenyl)ethyl]-3-propylazetidin-3-yl]phenol3-{1-[2-(4-aminophenyl)ethyl]-3-propylazetidin-3-yl}phenol1-(4-Aminophenethyl)-3-propyl-3-(3-hydroxyphenyl)azetidinePhenol, 3-[1-[2-(4-aminophenyl)ethyl]-3-propyl-3-azetidinyl]-
Database identifiers
- CAS
17191-58-1- PubChem CID
- 205019
- DTXSID
DTXSID60169187- Nikkaji
- J50.084D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Boiling point
- 490.4 · 490.4±40.0 °C(Predicted)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- pka
- 9.91 · 9.91±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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