Basic information
- CAS
751478-34-9- Standard SMILES
NCC#CCOc1cccc2ccccc12- InChIKey
ABTBLMXBRFHZOW-UHFFFAOYSA-N- Molecular formula
- C14H13NO
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.09971404
Names & identifiers
- Preferred name
- 4-[(Naphthalen-1-yl)oxy]but-2-yn-1-amine
- IUPAC
- 4-naphthalen-1-yloxybut-2-yn-1-amine
Names & synonyms
751478-34-94-[(Naphthalen-1-yl)oxy]but-2-yn-1-amineSCHEMBL17188573DTXSID90580987
Database identifiers
- CAS
751478-34-9- PubChem CID
- 16005181
- DTXSID
DTXSID90580987- Nikkaji
- J2.091.880B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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