bis(2-hydroxyethyl)azanium chloride

C4H12ClNO2 — CID 26688

IUPACbis(2-hydroxyethyl)azanium chloride
SMILESOCC[NH2+]CCO.[Cl-]
InChIInChI=1S/C4H11NO2.ClH/c6-3-1-5-2-4-7;/h5-7H,1-4H2;1H
InChIKeyVJLOFJZWUDZJBX-UHFFFAOYSA-N
MW141.60 g/mol
LogP-5.46
Rot. Bonds4

About bis(2-hydroxyethyl)azanium chloride

bis(2-hydroxyethyl)azanium chloride (PubChem CID 26688) has the molecular formula C4H12ClNO2 and a molecular weight of 141.60 g/mol. Its IUPAC name is bis(2-hydroxyethyl)azanium chloride.

Molecular Properties

Compound Namebis(2-hydroxyethyl)azanium chloride
PubChem CID26688
Molecular FormulaC4H12ClNO2
Molecular Weight141.60 g/mol
Exact Mass141.06
IUPAC Namebis(2-hydroxyethyl)azanium chloride
SMILESOCC[NH2+]CCO.[Cl-]
InChIInChI=1S/C4H11NO2.ClH/c6-3-1-5-2-4-7;/h5-7H,1-4H2;1H
InChIKeyVJLOFJZWUDZJBX-UHFFFAOYSA-N
XLogP-5.46
TPSA57.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 5-5.46
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 chloride?
The IUPAC name of bis(2-hydroxyethyl)azanium chloride (CID 26688) is bis(2-hydroxyethyl)azanium chloride.
What is the SMILES notation for bis(2-hydroxyethyl)azanium chloride?
The canonical SMILES for bis(2-hydroxyethyl)azanium chloride is OCC[NH2+]CCO.[Cl-].
What is the InChIKey of bis(2-hydroxyethyl)azanium chloride?
The InChIKey is VJLOFJZWUDZJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.ClH/c6-3-1-5-2-4-7;/h5-7H,1-4H2;1H.
What are the key properties of bis(2-hydroxyethyl)azanium chloride?
bis(2-hydroxyethyl)azanium chloride has a molecular weight of 141.60 g/mol, XLogP of -5.46, 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 chloride is sourced from PubChem (CID 26688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).