bis(2-aminobenzoate);dibutyltin(2+)

C22H30N2O4Sn — CID 22925318

IUPACbis(2-aminobenzoate);dibutyltin(2+)
SMILESCCCC[Sn+2]CCCC.Nc1ccccc1C(=O)[O-].Nc1ccccc1C(=O)[O-]
InChIInChI=1S/2C7H7NO2.2C4H9.Sn/c2*8-6-4-2-1-3-5(6)7(9)10;2*1-3-4-2;/h2*1-4H,8H2,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyLDBMDAOPOKTMEV-UHFFFAOYSA-L
MW505.20 g/mol
LogP2.39
Rot. Bonds8

About bis(2-aminobenzoate);dibutyltin(2+)

bis(2-aminobenzoate);dibutyltin(2+) (PubChem CID 22925318) has the molecular formula C22H30N2O4Sn and a molecular weight of 505.20 g/mol. Its IUPAC name is bis(2-aminobenzoate);dibutyltin(2+).

Molecular Properties

Compound Namebis(2-aminobenzoate);dibutyltin(2+)
PubChem CID22925318
Molecular FormulaC22H30N2O4Sn
Molecular Weight505.20 g/mol
Exact Mass506.12
IUPAC Namebis(2-aminobenzoate);dibutyltin(2+)
SMILESCCCC[Sn+2]CCCC.Nc1ccccc1C(=O)[O-].Nc1ccccc1C(=O)[O-]
InChIInChI=1S/2C7H7NO2.2C4H9.Sn/c2*8-6-4-2-1-3-5(6)7(9)10;2*1-3-4-2;/h2*1-4H,8H2,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyLDBMDAOPOKTMEV-UHFFFAOYSA-L
XLogP2.39
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.20
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(2-aminobenzoate);dibutyltin(2+)?
The IUPAC name of bis(2-aminobenzoate);dibutyltin(2+) (CID 22925318) is bis(2-aminobenzoate);dibutyltin(2+).
What is the SMILES notation for bis(2-aminobenzoate);dibutyltin(2+)?
The canonical SMILES for bis(2-aminobenzoate);dibutyltin(2+) is CCCC[Sn+2]CCCC.Nc1ccccc1C(=O)[O-].Nc1ccccc1C(=O)[O-].
What is the InChIKey of bis(2-aminobenzoate);dibutyltin(2+)?
The InChIKey is LDBMDAOPOKTMEV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H7NO2.2C4H9.Sn/c2*8-6-4-2-1-3-5(6)7(9)10;2*1-3-4-2;/h2*1-4H,8H2,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of bis(2-aminobenzoate);dibutyltin(2+)?
bis(2-aminobenzoate);dibutyltin(2+) has a molecular weight of 505.20 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminobenzoate);dibutyltin(2+) is sourced from PubChem (CID 22925318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).