2-(Dodecylamino)benzoic acid
Basic information
- CAS
31268-50-5- Standard SMILES
CCCCCCCCCCCCNc1ccccc1C(=O)O- InChIKey
PLMADKZFGMFPRG-UHFFFAOYSA-N- Molecular formula
- C19H31NO2
- Average molar mass
- 305.5 g/mol
- Monoisotopic mass
- 305.23547923
Names & identifiers
- Preferred name
- 2-(Dodecylamino)benzoic acid
- IUPAC
- 2-(dodecylamino)benzoic acid
Names & synonyms
NSC50881031268-50-52-(dodecylamino)benzoic acidSCHEMBL11430175SCHEMBL30012239DTXSID80325480NSC-508810
Database identifiers
- CAS
31268-50-5- PubChem CID
- 350239
- DTXSID
DTXSID80325480
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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