Basic information
- CAS
412041-41-9- Standard SMILES
C#Cc1cccc(N)c1C#C- InChIKey
MVESKVHSJPZJQH-UHFFFAOYSA-N- Molecular formula
- C10H7N
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.05784923
Names & identifiers
- Preferred name
- 2,3-Diethynylaniline
- IUPAC
- 2,3-diethynylaniline
Names & synonyms
2,3-diethynylaniline412041-41-9SCHEMBL2202184DTXSID10785639
Database identifiers
- CAS
412041-41-9- PubChem CID
- 71361995
- DTXSID
DTXSID10785639- Nikkaji
- J1.715.565B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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