bromo(trichloro)boranuide;triethyl(methyl)azanium

C7H18BBrCl3N — CID 140836548

IUPACbromo(trichloro)boranuide;triethyl(methyl)azanium
SMILESCC[N+](C)(CC)CC.Cl[B-](Cl)(Cl)Br
InChIInChI=1S/C7H18N.BBrCl3/c1-5-8(4,6-2)7-3;2-1(3,4)5/h5-7H2,1-4H3;/q+1;-1
InChIKeyGJVWHTXQXUKIFD-UHFFFAOYSA-N
MW313.30 g/mol
LogP4.03
Rot. Bonds3

About bromo(trichloro)boranuide;triethyl(methyl)azanium

bromo(trichloro)boranuide;triethyl(methyl)azanium (PubChem CID 140836548) has the molecular formula C7H18BBrCl3N and a molecular weight of 313.30 g/mol. Its IUPAC name is bromo(trichloro)boranuide;triethyl(methyl)azanium.

Molecular Properties

Compound Namebromo(trichloro)boranuide;triethyl(methyl)azanium
PubChem CID140836548
Molecular FormulaC7H18BBrCl3N
Molecular Weight313.30 g/mol
Exact Mass310.98
IUPAC Namebromo(trichloro)boranuide;triethyl(methyl)azanium
SMILESCC[N+](C)(CC)CC.Cl[B-](Cl)(Cl)Br
InChIInChI=1S/C7H18N.BBrCl3/c1-5-8(4,6-2)7-3;2-1(3,4)5/h5-7H2,1-4H3;/q+1;-1
InChIKeyGJVWHTXQXUKIFD-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

bromo(trifluoro)boranuide;triethyl(methyl)azanium
CID 140836561
hydron;triethyl(methyl)azanium;tetrafluoroborate
CID 87302670
triethyl(methyl)azanium iodate
CID 158535675
perchloric acid;triethyl(methyl)azanium
CID 87764447
methanesulfonic acid;triethyl(methyl)azanium
CID 87743130
bromomethyl-ethyl-methyl-propylazanium
CID 123781135
triethyl(methyl)azanium;trifluoro borate;iodide
CID 175209505
(Z)-but-2-enedioic acid;triethyl(methyl)azanium
CID 87389837
[(E)-2-bromo-3-chlorobut-2-enyl]-diethyl-methylazanium
CID 134985938
diacetyloxysilyl acetate;triethyl(methyl)azanium
CID 173168516
2,2-dichloropropanedioate;bis(triethyl(methyl)azanium)
CID 175220042
diethyl-methyl-(methylsulfanylmethyl)azanium
CID 123930131

Frequently Asked Questions

What is the IUPAC name of bromo(trichloro)boranuide;triethyl(methyl)azanium?
The IUPAC name of bromo(trichloro)boranuide;triethyl(methyl)azanium (CID 140836548) is bromo(trichloro)boranuide;triethyl(methyl)azanium.
What is the SMILES notation for bromo(trichloro)boranuide;triethyl(methyl)azanium?
The canonical SMILES for bromo(trichloro)boranuide;triethyl(methyl)azanium is CC[N+](C)(CC)CC.Cl[B-](Cl)(Cl)Br.
What is the InChIKey of bromo(trichloro)boranuide;triethyl(methyl)azanium?
The InChIKey is GJVWHTXQXUKIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N.BBrCl3/c1-5-8(4,6-2)7-3;2-1(3,4)5/h5-7H2,1-4H3;/q+1;-1.
What are the key properties of bromo(trichloro)boranuide;triethyl(methyl)azanium?
bromo(trichloro)boranuide;triethyl(methyl)azanium has a molecular weight of 313.30 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(trichloro)boranuide;triethyl(methyl)azanium is sourced from PubChem (CID 140836548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).