Basic information
- CAS
23452-53-1- Standard SMILES
C#CCOCC(O)CNc1ccccc1- InChIKey
GMOSHJHOTUTWOV-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- 2-Propanol, 1-anilino-3-(2-propynyloxy)-
- IUPAC
- 1-anilino-3-prop-2-ynoxypropan-2-ol
Names & synonyms
23452-53-166100 MD1-Anilino-3-(2-propynyloxy)-2-propanolBRN 21085562-Propanol, 1-anilino-3-(2-propynyloxy)-RefChem:265903DTXSID709461081-Anilino-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Database identifiers
- CAS
23452-53-1- PubChem CID
- 211596
- DTXSID
DTXSID70946108- Nikkaji
- J1.865.475J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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