azane;dimethyl hydrogen phosphate;ethanol

C4H16NO5P — CID 174156402

IUPACazane;dimethyl hydrogen phosphate;ethanol
SMILESCCO.COP(=O)(O)OC.N
InChIInChI=1S/C2H7O4P.C2H6O.H3N/c1-5-7(3,4)6-2;1-2-3;/h1-2H3,(H,3,4);3H,2H2,1H3;1H3
InChIKeyAUKIUGJSNTWZGJ-UHFFFAOYSA-N
MW189.15 g/mol
LogP0.54
Rot. Bonds2

About azane;dimethyl hydrogen phosphate;ethanol

azane;dimethyl hydrogen phosphate;ethanol (PubChem CID 174156402) has the molecular formula C4H16NO5P and a molecular weight of 189.15 g/mol. Its IUPAC name is azane;dimethyl hydrogen phosphate;ethanol.

Molecular Properties

Compound Nameazane;dimethyl hydrogen phosphate;ethanol
PubChem CID174156402
Molecular FormulaC4H16NO5P
Molecular Weight189.15 g/mol
Exact Mass189.08
IUPAC Nameazane;dimethyl hydrogen phosphate;ethanol
SMILESCCO.COP(=O)(O)OC.N
InChIInChI=1S/C2H7O4P.C2H6O.H3N/c1-5-7(3,4)6-2;1-2-3;/h1-2H3,(H,3,4);3H,2H2,1H3;1H3
InChIKeyAUKIUGJSNTWZGJ-UHFFFAOYSA-N
XLogP0.54
TPSA110.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.15
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium;azane;dimethyl hydrogen phosphate;hydride
CID 175474279
tris(dimethyl hydrogen phosphate);titanium
CID 131876605
dimethyl hydrogen phosphate;methane
CID 88807117
dimethyl hydrogen phosphate;heptahydrate
CID 175149976
azane;methyl phosphono hydrogen phosphate
CID 175124465
diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride
CID 173401897
azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate
CID 174777676
dimethyl hydrogen phosphate;methyl(trioctyl)phosphanium
CID 129073670
azane;methyl octyl hydrogen phosphate
CID 175087561
tripotassium;amino methyl hydrogen phosphate;azane;hydride
CID 174615874
fluoro methyl hydrogen phosphate
CID 87128109
dimethyl hydrogen phosphate;ethyl prop-2-enoate
CID 87182550

Frequently Asked Questions

What is the IUPAC name of azane;dimethyl hydrogen phosphate;ethanol?
The IUPAC name of azane;dimethyl hydrogen phosphate;ethanol (CID 174156402) is azane;dimethyl hydrogen phosphate;ethanol.
What is the SMILES notation for azane;dimethyl hydrogen phosphate;ethanol?
The canonical SMILES for azane;dimethyl hydrogen phosphate;ethanol is CCO.COP(=O)(O)OC.N.
What is the InChIKey of azane;dimethyl hydrogen phosphate;ethanol?
The InChIKey is AUKIUGJSNTWZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O4P.C2H6O.H3N/c1-5-7(3,4)6-2;1-2-3;/h1-2H3,(H,3,4);3H,2H2,1H3;1H3.
What are the key properties of azane;dimethyl hydrogen phosphate;ethanol?
azane;dimethyl hydrogen phosphate;ethanol has a molecular weight of 189.15 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dimethyl hydrogen phosphate;ethanol is sourced from PubChem (CID 174156402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).