Basic information
- CAS
75681-61-7- Standard SMILES
CCCCCCCNc1ccc(C(=O)O)cc1- InChIKey
GJJAFTIJCDERTI-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- 4-(Heptylamino)benzoic acid
- IUPAC
- 4-(heptylamino)benzoic acid
Names & synonyms
4-(heptylamino)benzoic acid75681-61-7NSC138407SCHEMBL22398313DTXSID30300702NSC-138407DS-014586
Database identifiers
- CAS
75681-61-7- PubChem CID
- 283545
- DTXSID
DTXSID30300702- Nikkaji
- J1.196.923B
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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