3-(5-Methoxypent-1-yn-1-yl)aniline
Basic information
- CAS
923027-29-6- Standard SMILES
COCCCC#Cc1cccc(N)c1- InChIKey
AVEYRQXDGMXFJK-UHFFFAOYSA-N- Molecular formula
- C12H15NO
- Average molar mass
- 189.25 g/mol
- Monoisotopic mass
- 189.1153641
Names & identifiers
- Preferred name
- 3-(5-Methoxypent-1-yn-1-yl)aniline
- IUPAC
- 3-(5-methoxypent-1-ynyl)aniline
Names & synonyms
3-(5-Methoxypent-1-yn-1-yl)aniline923027-29-6DTXSID90854493
Database identifiers
- CAS
923027-29-6- PubChem CID
- 71445985
- DTXSID
DTXSID90854493
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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