sodium bis(dimethylamino) phosphate

C4H12N2NaO4P — CID 23665369

IUPACsodium bis(dimethylamino) phosphate
SMILESCN(C)OP(=O)([O-])ON(C)C.[Na+]
InChIInChI=1S/C4H13N2O4P.Na/c1-5(2)9-11(7,8)10-6(3)4;/h1-4H3,(H,7,8);/q;+1/p-1
InChIKeyNPFAXEWMQFTRNK-UHFFFAOYSA-M
MW206.11 g/mol
LogP-3.55
Rot. Bonds4

About sodium bis(dimethylamino) phosphate

sodium bis(dimethylamino) phosphate (PubChem CID 23665369) has the molecular formula C4H12N2NaO4P and a molecular weight of 206.11 g/mol. Its IUPAC name is sodium bis(dimethylamino) phosphate.

Molecular Properties

Compound Namesodium bis(dimethylamino) phosphate
PubChem CID23665369
Molecular FormulaC4H12N2NaO4P
Molecular Weight206.11 g/mol
Exact Mass206.04
IUPAC Namesodium bis(dimethylamino) phosphate
SMILESCN(C)OP(=O)([O-])ON(C)C.[Na+]
InChIInChI=1S/C4H13N2O4P.Na/c1-5(2)9-11(7,8)10-6(3)4;/h1-4H3,(H,7,8);/q;+1/p-1
InChIKeyNPFAXEWMQFTRNK-UHFFFAOYSA-M
XLogP-3.55
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 5-3.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trisodium;hydrogen phosphate;methanolate
CID 174908769
sodium phosphate
CID 21225609
heptasodium;phosphate
CID 159686031
disodium bis(diethyl phosphate)
CID 57370561
tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 91516150
methylazanium;methyl phosphate
CID 141397686
phosphanium dimethyl phosphate
CID 118555188
lithium;iron(3+);methyl phosphate
CID 173011115
pentacalcium [oxido(phosphonatoperoxy)phosphoryl]oxy phosphate
CID 157146051
carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 159968116
aluminum;lead(2+);[oxido(phosphonatooxy)phosphoryl] phosphate
CID 174925900
tetracalcium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 161067553

Frequently Asked Questions

What is the IUPAC name of sodium bis(dimethylamino) phosphate?
The IUPAC name of sodium bis(dimethylamino) phosphate (CID 23665369) is sodium bis(dimethylamino) phosphate.
What is the SMILES notation for sodium bis(dimethylamino) phosphate?
The canonical SMILES for sodium bis(dimethylamino) phosphate is CN(C)OP(=O)([O-])ON(C)C.[Na+].
What is the InChIKey of sodium bis(dimethylamino) phosphate?
The InChIKey is NPFAXEWMQFTRNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H13N2O4P.Na/c1-5(2)9-11(7,8)10-6(3)4;/h1-4H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium bis(dimethylamino) phosphate?
sodium bis(dimethylamino) phosphate has a molecular weight of 206.11 g/mol, XLogP of -3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium bis(dimethylamino) phosphate is sourced from PubChem (CID 23665369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).