2-Amino-5-octylbenzoic acid
Basic information
- CAS
113736-77-9- Standard SMILES
CCCCCCCCc1ccc(N)c(C(=O)O)c1- InChIKey
WWCVEHIVQBOHJI-UHFFFAOYSA-N- Molecular formula
- C15H23NO2
- Average molar mass
- 249.35 g/mol
- Monoisotopic mass
- 249.17287898
Names & identifiers
- Preferred name
- 2-Amino-5-octylbenzoic acid
- IUPAC
- 2-amino-5-octylbenzoic acid
Names & synonyms
2-AMINO-5-OCTYLBENZOIC ACID113736-77-9SCHEMBL2076751DTXSID106294032-AMINO-5-OCTYLBENZOICACIDSB80706
Database identifiers
- CAS
113736-77-9- PubChem CID
- 22992155
- DTXSID
DTXSID10629403
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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