Basic information
- CAS
140160-00-5- Standard SMILES
O=C([O-])CCCN(Cc1ccccn1)Cc1ccccn1.[Br-].[Cu+2]- InChIKey
MCGQLZIZTQNRCG-UHFFFAOYSA-L- Molecular formula
- C16H18BrCuN3O2
- Average molar mass
- 427.78 g/mol
- Monoisotopic mass
- 425.98784
Overview
structure given in first source; RN refers to bromide cpd
Names & identifiers
- Preferred name
- N,N-(Bis(2-pyridylmethyl)-gamma-aminobutyrato)copper(II)
- IUPAC
- copper;4-[bis(pyridin-2-ylmethyl)amino]butanoate;bromide
- English name
- N,N-(bis(2-pyridylmethyl)-gamma-aminobutyrato)copper(II)
- Molecular formula
- C16H18BrCuN3O2
- Molecular weight
- 427.78302
Names & synonyms
Cu(GABA(mpy)2)Cu(GABA(mpy)2)Br140160-00-5N,N-(Bis(2-pyridylmethyl)-gamma-aminobutyrato)copper(II)RefChem:161078N,N-(Bis(2-pyridylmethyl)-gamma-aminobutyrato)copper(II) bromidecopper;4-[bis(pyridin-2-ylmethyl)amino]butanoate;bromideCopper, (4-(bis(2-pyridinylmethyl)amino)butanoato-N,N',N'')bromo-DTXSID70930724Copper(2+) bromide 4-{bis[(pyridin-2-yl)methyl]amino}butanoate (1/1/1)
Database identifiers
- CAS
140160-00-5- PubChem CID
- 3083310
- DTXSID
DTXSID70930724
Properties
Computed structural properties
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…