Dichloromethane;tetrabutylazanium;bromide

C₁₇H₃₈BrCl₂N — CID 159516193

About Dichloromethane;tetrabutylazanium;bromide

Dichloromethane;tetrabutylazanium;bromide (PubChem CID 159516193) has the molecular formula C₁₇H₃₈BrCl₂N and a molecular weight of 407.31 g/mol. Its IUPAC name is dichloromethane;tetrabutylazanium;bromide.

Molecular Properties

• Compound Name: Dichloromethane;tetrabutylazanium;bromide
• PubChem CID: 159516193
• Molecular Formula: C₁₇H₃₈BrCl₂N
• Molecular Weight: 407.31 g/mol
• Exact Mass: 405.16
• IUPAC Name: dichloromethane;tetrabutylazanium;bromide
• SMILES: CCCC[N+](CCCC)(CCCC)CCCC.ClCCl.[Br-]
• InChI: InChI=1S/C16H36N.CH2Cl2.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3;/h5-16H2,1-4H3;1H2;1H/q+1;;/p-1
• InChIKey: MBFMVPAHIMFBPL-UHFFFAOYSA-M
• XLogP: 3.43
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.31
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Dichloromethane;tetrabutylazanium;bromide?

The IUPAC name of Dichloromethane;tetrabutylazanium;bromide (CID 159516193) is dichloromethane;tetrabutylazanium;bromide.

What is the SMILES notation for Dichloromethane;tetrabutylazanium;bromide?

The canonical SMILES for Dichloromethane;tetrabutylazanium;bromide is CCCC[N+](CCCC)(CCCC)CCCC.ClCCl.[Br-].

What is the InChIKey of Dichloromethane;tetrabutylazanium;bromide?

The InChIKey is MBFMVPAHIMFBPL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.CH2Cl2.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3;/h5-16H2,1-4H3;1H2;1H/q+1;;/p-1.

What are the key properties of Dichloromethane;tetrabutylazanium;bromide?

Dichloromethane;tetrabutylazanium;bromide has a molecular weight of 407.31 g/mol, XLogP of 3.43, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Dichloromethane;tetrabutylazanium;bromide is sourced from PubChem (CID 159516193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159516193 — identifiers, structure, computed properties (public domain)

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