Basic information
- CAS
666735-71-3- Standard SMILES
O=C(O)CCCN(Cc1ccccn1)Cc1ccccn1- InChIKey
MVROJFQJXXBWOZ-UHFFFAOYSA-N- Molecular formula
- C16H19N3O2
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.14772686
Names & identifiers
- Preferred name
- Butanoic acid, 4-[bis(2-pyridinylmethyl)amino]-
- IUPAC
- 4-[bis(pyridin-2-ylmethyl)amino]butanoic acid
Names & synonyms
Butanoic acid, 4-[bis(2-pyridinylmethyl)amino]-666735-71-34-{bis[(pyridin-2-yl)methyl]amino}butanoic acidSCHEMBL5062633DTXSID60388972TQP0318
Database identifiers
- CAS
666735-71-3- PubChem CID
- 3083311
- DTXSID
DTXSID60388972- Nikkaji
- J2.043.445G
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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