diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane

C2H12ClN2O3P — CID 168655255

IUPACdiazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane
SMILESO=P([O-])([O-])CCCl.[NH4+].[NH4+]
InChIInChI=1S/C2H6ClO3P.2H3N/c3-1-2-7(4,5)6;;/h1-2H2,(H2,4,5,6);2*1H3
InChIKeyAPFKEGYBIPZHSV-UHFFFAOYSA-N
MW178.56 g/mol
LogP-0.11
Rot. Bonds2

About diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane

diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane (PubChem CID 168655255) has the molecular formula C2H12ClN2O3P and a molecular weight of 178.56 g/mol. Its IUPAC name is diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Namediazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane
PubChem CID168655255
Molecular FormulaC2H12ClN2O3P
Molecular Weight178.56 g/mol
Exact Mass178.03
IUPAC Namediazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane
SMILESO=P([O-])([O-])CCCl.[NH4+].[NH4+]
InChIInChI=1S/C2H6ClO3P.2H3N/c3-1-2-7(4,5)6;;/h1-2H2,(H2,4,5,6);2*1H3
InChIKeyAPFKEGYBIPZHSV-UHFFFAOYSA-N
XLogP-0.11
TPSA136.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.56
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane
CID 13424002
bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+)
CID 88773242
dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+)
CID 88696209
calcium phosphonatomethanol
CID 154632355
octadecaazanium;hexaphosphate
CID 158249396
dimagnesium;dioxido-oxo-propyl-λ5-phosphane;dichloride
CID 153434042
diazanium;1-phosphonato-N,N-bis(phosphonatomethyl)methanamine
CID 139597306
tris(3-phosphonatopropanoic acid);bis(titanium(3+))
CID 155387935
azanium;sodium;phosphate
CID 22506365
dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
hydroxy(2-hydroxyethyl)phosphinate
CID 25246079
2-aminoethanol;iron(3+);phosphate
CID 87771610

Frequently Asked Questions

What is the IUPAC name of diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane?
The IUPAC name of diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane (CID 168655255) is diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane is O=P([O-])([O-])CCCl.[NH4+].[NH4+].
What is the InChIKey of diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane?
The InChIKey is APFKEGYBIPZHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClO3P.2H3N/c3-1-2-7(4,5)6;;/h1-2H2,(H2,4,5,6);2*1H3.
What are the key properties of diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane?
diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane has a molecular weight of 178.56 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 168655255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).