Basic information
- CAS
89705-82-8- Standard SMILES
CC#CCNc1nc2ccccc2o1- InChIKey
VZMJXTIWACAYNZ-UHFFFAOYSA-N- Molecular formula
- C11H10N2O
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.07931295
Names & identifiers
- Preferred name
- 2-Benzoxazolamine, N-2-butynyl-
- IUPAC
- N-but-2-ynyl-1,3-benzoxazol-2-amine
Names & synonyms
89705-82-82-Benzoxazolamine, N-2-butynyl-N-(BUT-2-YN-1-YL)-1,3-BENZOXAZOL-2-AMINESCHEMBL7540148DTXSID30444993
Database identifiers
- CAS
89705-82-8- PubChem CID
- 10797635
- DTXSID
DTXSID30444993- Nikkaji
- J728.604J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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