4-[Di(propan-2-yl)amino]benzoic acid
Basic information
- CAS
22090-23-9- Standard SMILES
CC(C)N(c1ccc(C(=O)O)cc1)C(C)C- InChIKey
SWXVEXLYWWGQPK-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- 4-[Di(propan-2-yl)amino]benzoic acid
- IUPAC
- 4-[di(propan-2-yl)amino]benzoic acid
Names & synonyms
22090-23-94-[di(propan-2-yl)amino]benzoic acidNSC204953SCHEMBL925065DTXSID30308566NSC-204953
Database identifiers
- CAS
22090-23-9- PubChem CID
- 307164
- DTXSID
DTXSID30308566
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 222
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Compound notes
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