2-[(4,7-Dimethyl-1,4,7-triazonan-1-yl)methyl]phenol
Basic information
- CAS
141213-04-9- Standard SMILES
CN1CCN(C)CCN(Cc2ccccc2O)CC1- InChIKey
UFIHQEUSIHJKCQ-UHFFFAOYSA-N- Molecular formula
- C15H25N3O
- Average molar mass
- 263.38 g/mol
- Monoisotopic mass
- 263.19976243
Names & identifiers
- Preferred name
- 2-[(4,7-Dimethyl-1,4,7-triazonan-1-yl)methyl]phenol
- IUPAC
- 2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol
Names & synonyms
141213-04-92-[(4,7-Dimethyl-1,4,7-triazonan-1-yl)methyl]phenolDTXSID70770147
Database identifiers
- CAS
141213-04-9- PubChem CID
- 71343571
- DTXSID
DTXSID70770147
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 248
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Compound notes
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