phosphenous acid;triethylazanium;hydrate

C6H19NO3P+ — CID 131728704

IUPACphosphenous acid;triethylazanium;hydrate
SMILESCC[NH+](CC)CC.O.O=PO
InChIInChI=1S/C6H15N.HO2P.H2O/c1-4-7(5-2)6-3;1-3-2;/h4-6H2,1-3H3;(H,1,2);1H2/p+1
InChIKeyWSQRQDCQJZWBME-UHFFFAOYSA-O
MW184.20 g/mol
LogP-0.71
Rot. Bonds3

About phosphenous acid;triethylazanium;hydrate

phosphenous acid;triethylazanium;hydrate (PubChem CID 131728704) has the molecular formula C6H19NO3P+ and a molecular weight of 184.20 g/mol. Its IUPAC name is phosphenous acid;triethylazanium;hydrate.

Molecular Properties

Compound Namephosphenous acid;triethylazanium;hydrate
PubChem CID131728704
Molecular FormulaC6H19NO3P+
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Namephosphenous acid;triethylazanium;hydrate
SMILESCC[NH+](CC)CC.O.O=PO
InChIInChI=1S/C6H15N.HO2P.H2O/c1-4-7(5-2)6-3;1-3-2;/h4-6H2,1-3H3;(H,1,2);1H2/p+1
InChIKeyWSQRQDCQJZWBME-UHFFFAOYSA-O
XLogP-0.71
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphenous acid;triethylazanium;hydrate?
The IUPAC name of phosphenous acid;triethylazanium;hydrate (CID 131728704) is phosphenous acid;triethylazanium;hydrate.
What is the SMILES notation for phosphenous acid;triethylazanium;hydrate?
The canonical SMILES for phosphenous acid;triethylazanium;hydrate is CC[NH+](CC)CC.O.O=PO.
What is the InChIKey of phosphenous acid;triethylazanium;hydrate?
The InChIKey is WSQRQDCQJZWBME-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N.HO2P.H2O/c1-4-7(5-2)6-3;1-3-2;/h4-6H2,1-3H3;(H,1,2);1H2/p+1.
What are the key properties of phosphenous acid;triethylazanium;hydrate?
phosphenous acid;triethylazanium;hydrate has a molecular weight of 184.20 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphenous acid;triethylazanium;hydrate is sourced from PubChem (CID 131728704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).