boric acid;tetrapropylazanium;bromide

C12H31BBrNO3 — CID 175148155

IUPACboric acid;tetrapropylazanium;bromide
SMILESCCC[N+](CCC)(CCC)CCC.OB(O)O.[Br-]
InChIInChI=1S/C12H28N.BH3O3.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3)4;/h5-12H2,1-4H3;2-4H;1H/q+1;;/p-1
InChIKeyBHRCVWYFBKDBPC-UHFFFAOYSA-M
MW328.10 g/mol
LogP-1.60
Rot. Bonds8

About boric acid;tetrapropylazanium;bromide

boric acid;tetrapropylazanium;bromide (PubChem CID 175148155) has the molecular formula C12H31BBrNO3 and a molecular weight of 328.10 g/mol. Its IUPAC name is boric acid;tetrapropylazanium;bromide.

Molecular Properties

Compound Nameboric acid;tetrapropylazanium;bromide
PubChem CID175148155
Molecular FormulaC12H31BBrNO3
Molecular Weight328.10 g/mol
Exact Mass327.16
IUPAC Nameboric acid;tetrapropylazanium;bromide
SMILESCCC[N+](CCC)(CCC)CCC.OB(O)O.[Br-]
InChIInChI=1S/C12H28N.BH3O3.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3)4;/h5-12H2,1-4H3;2-4H;1H/q+1;;/p-1
InChIKeyBHRCVWYFBKDBPC-UHFFFAOYSA-M
XLogP-1.60
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.10
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of boric acid;tetrapropylazanium;bromide?
The IUPAC name of boric acid;tetrapropylazanium;bromide (CID 175148155) is boric acid;tetrapropylazanium;bromide.
What is the SMILES notation for boric acid;tetrapropylazanium;bromide?
The canonical SMILES for boric acid;tetrapropylazanium;bromide is CCC[N+](CCC)(CCC)CCC.OB(O)O.[Br-].
What is the InChIKey of boric acid;tetrapropylazanium;bromide?
The InChIKey is BHRCVWYFBKDBPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28N.BH3O3.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3)4;/h5-12H2,1-4H3;2-4H;1H/q+1;;/p-1.
What are the key properties of boric acid;tetrapropylazanium;bromide?
boric acid;tetrapropylazanium;bromide has a molecular weight of 328.10 g/mol, XLogP of -1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;tetrapropylazanium;bromide is sourced from PubChem (CID 175148155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).