disodium;N-methyl-N-phosphonatoethanamine

C3H8NNa2O3P — CID 88812054

IUPACdisodium;N-methyl-N-phosphonatoethanamine
SMILESCCN(C)P(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H10NO3P.2Na/c1-3-4(2)8(5,6)7;;/h3H2,1-2H3,(H2,5,6,7);;/q;2*+1/p-2
InChIKeyVFHPYWVWHDVFJI-UHFFFAOYSA-L
MW183.05 g/mol
LogP-7.23
Rot. Bonds2

About disodium;N-methyl-N-phosphonatoethanamine

disodium;N-methyl-N-phosphonatoethanamine (PubChem CID 88812054) has the molecular formula C3H8NNa2O3P and a molecular weight of 183.05 g/mol. Its IUPAC name is disodium;N-methyl-N-phosphonatoethanamine.

Molecular Properties

Compound Namedisodium;N-methyl-N-phosphonatoethanamine
PubChem CID88812054
Molecular FormulaC3H8NNa2O3P
Molecular Weight183.05 g/mol
Exact Mass183.00
IUPAC Namedisodium;N-methyl-N-phosphonatoethanamine
SMILESCCN(C)P(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H10NO3P.2Na/c1-3-4(2)8(5,6)7;;/h3H2,1-2H3,(H2,5,6,7);;/q;2*+1/p-2
InChIKeyVFHPYWVWHDVFJI-UHFFFAOYSA-L
XLogP-7.23
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.05
LogP ≤ 5-7.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

magnesium 1-fluoro-N-methyl-N-phosphonatomethanamine
CID 178182641
hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)
CID 176986866
N-methyl-N-phosphonatomethanamine;bis(trimethyl(propyl)azanium)
CID 178182657
tetrasodium ethyl phosphate
CID 141178132
triazanium;propylazanium;diphosphate
CID 154732334
disodium;ethyl phosphate
CID 11970393
diethylphosphinate
CID 159335352
butane;lanthanum(3+);phosphate
CID 118953489
sodium phosphate
CID 21225609
heptasodium;phosphate
CID 159686031
bis(1-ethyl-3-methylimidazol-3-ium);1-fluoro-N-methyl-N-phosphonatomethanamine
CID 178182737
barium(2+);ethyl phosphate
CID 12691393

Frequently Asked Questions

What is the IUPAC name of disodium;N-methyl-N-phosphonatoethanamine?
The IUPAC name of disodium;N-methyl-N-phosphonatoethanamine (CID 88812054) is disodium;N-methyl-N-phosphonatoethanamine.
What is the SMILES notation for disodium;N-methyl-N-phosphonatoethanamine?
The canonical SMILES for disodium;N-methyl-N-phosphonatoethanamine is CCN(C)P(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;N-methyl-N-phosphonatoethanamine?
The InChIKey is VFHPYWVWHDVFJI-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H10NO3P.2Na/c1-3-4(2)8(5,6)7;;/h3H2,1-2H3,(H2,5,6,7);;/q;2*+1/p-2.
What are the key properties of disodium;N-methyl-N-phosphonatoethanamine?
disodium;N-methyl-N-phosphonatoethanamine has a molecular weight of 183.05 g/mol, XLogP of -7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N-methyl-N-phosphonatoethanamine is sourced from PubChem (CID 88812054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).