bis(2-hydroxyethyl)azanium;bromide;chloride

C4H12BrClNO2- — CID 87517996

IUPACbis(2-hydroxyethyl)azanium;bromide;chloride
SMILESOCC[NH2+]CCO.[Br-].[Cl-]
InChIInChI=1S/C4H11NO2.BrH.ClH/c6-3-1-5-2-4-7;;/h5-7H,1-4H2;2*1H/p-1
InChIKeyMWDSSBMVMPHEDH-UHFFFAOYSA-M
MW221.50 g/mol
LogP-8.46
Rot. Bonds4

About bis(2-hydroxyethyl)azanium;bromide;chloride

bis(2-hydroxyethyl)azanium;bromide;chloride (PubChem CID 87517996) has the molecular formula C4H12BrClNO2- and a molecular weight of 221.50 g/mol. Its IUPAC name is bis(2-hydroxyethyl)azanium;bromide;chloride.

Molecular Properties

Compound Namebis(2-hydroxyethyl)azanium;bromide;chloride
PubChem CID87517996
Molecular FormulaC4H12BrClNO2-
Molecular Weight221.50 g/mol
Exact Mass219.97
IUPAC Namebis(2-hydroxyethyl)azanium;bromide;chloride
SMILESOCC[NH2+]CCO.[Br-].[Cl-]
InChIInChI=1S/C4H11NO2.BrH.ClH/c6-3-1-5-2-4-7;;/h5-7H,1-4H2;2*1H/p-1
InChIKeyMWDSSBMVMPHEDH-UHFFFAOYSA-M
XLogP-8.46
TPSA57.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.50
LogP ≤ 5-8.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)azanium;bromide;chloride?
The IUPAC name of bis(2-hydroxyethyl)azanium;bromide;chloride (CID 87517996) is bis(2-hydroxyethyl)azanium;bromide;chloride.
What is the SMILES notation for bis(2-hydroxyethyl)azanium;bromide;chloride?
The canonical SMILES for bis(2-hydroxyethyl)azanium;bromide;chloride is OCC[NH2+]CCO.[Br-].[Cl-].
What is the InChIKey of bis(2-hydroxyethyl)azanium;bromide;chloride?
The InChIKey is MWDSSBMVMPHEDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO2.BrH.ClH/c6-3-1-5-2-4-7;;/h5-7H,1-4H2;2*1H/p-1.
What are the key properties of bis(2-hydroxyethyl)azanium;bromide;chloride?
bis(2-hydroxyethyl)azanium;bromide;chloride has a molecular weight of 221.50 g/mol, XLogP of -8.46, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)azanium;bromide;chloride is sourced from PubChem (CID 87517996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).