6-[Methyl(pyridin-4-yl)amino]hexanoic acid
Basic information
- CAS
80028-41-7- Standard SMILES
CN(CCCCCC(=O)O)c1ccncc1- InChIKey
BKCIIQGMKMAHHA-UHFFFAOYSA-N- Molecular formula
- C12H18N2O2
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.13682782
Names & identifiers
- Preferred name
- 6-[Methyl(pyridin-4-yl)amino]hexanoic acid
- IUPAC
- 6-[methyl(pyridin-4-yl)amino]hexanoic acid
Names & synonyms
80028-41-76-[methyl(pyridin-4-yl)amino]hexanoic acidNSC361048DTXSID40320537NSC-361048
Database identifiers
- CAS
80028-41-7- PubChem CID
- 338446
- DTXSID
DTXSID40320537
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 203
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Compound notes
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