ethyl dihydrogen phosphate;N-methylmethanamine

C4H14NO4P — CID 88518083

IUPACethyl dihydrogen phosphate;N-methylmethanamine
SMILESCCOP(=O)(O)O.CNC
InChIInChI=1S/C2H7N.C2H7O4P/c1-3-2;1-2-6-7(3,4)5/h3H,1-2H3;2H2,1H3,(H2,3,4,5)
InChIKeyIJSPLEDUHYDKGK-UHFFFAOYSA-N
MW171.13 g/mol
LogP-0.05
Rot. Bonds2

About ethyl dihydrogen phosphate;N-methylmethanamine

ethyl dihydrogen phosphate;N-methylmethanamine (PubChem CID 88518083) has the molecular formula C4H14NO4P and a molecular weight of 171.13 g/mol. Its IUPAC name is ethyl dihydrogen phosphate;N-methylmethanamine.

Molecular Properties

Compound Nameethyl dihydrogen phosphate;N-methylmethanamine
PubChem CID88518083
Molecular FormulaC4H14NO4P
Molecular Weight171.13 g/mol
Exact Mass171.07
IUPAC Nameethyl dihydrogen phosphate;N-methylmethanamine
SMILESCCOP(=O)(O)O.CNC
InChIInChI=1S/C2H7N.C2H7O4P/c1-3-2;1-2-6-7(3,4)5/h3H,1-2H3;2H2,1H3,(H2,3,4,5)
InChIKeyIJSPLEDUHYDKGK-UHFFFAOYSA-N
XLogP-0.05
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
alumane;ethyl dihydrogen phosphate
CID 173113989
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
CID 87495286
CID 87495286
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride
CID 173290588
ethoxy-N-methylphosphonamidic acid
CID 20842965
ethyl dihydrogen phosphate;methyl prop-2-enoate
CID 158276127
ethyl phosphate;N-methylmethanamine
CID 19985438
ethoxy(methylaminomethyl)phosphinic acid
CID 88509213
diethyl hydrogen phosphate;scandium
CID 54607585

Frequently Asked Questions

What is the IUPAC name of ethyl dihydrogen phosphate;N-methylmethanamine?
The IUPAC name of ethyl dihydrogen phosphate;N-methylmethanamine (CID 88518083) is ethyl dihydrogen phosphate;N-methylmethanamine.
What is the SMILES notation for ethyl dihydrogen phosphate;N-methylmethanamine?
The canonical SMILES for ethyl dihydrogen phosphate;N-methylmethanamine is CCOP(=O)(O)O.CNC.
What is the InChIKey of ethyl dihydrogen phosphate;N-methylmethanamine?
The InChIKey is IJSPLEDUHYDKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.C2H7O4P/c1-3-2;1-2-6-7(3,4)5/h3H,1-2H3;2H2,1H3,(H2,3,4,5).
What are the key properties of ethyl dihydrogen phosphate;N-methylmethanamine?
ethyl dihydrogen phosphate;N-methylmethanamine has a molecular weight of 171.13 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl dihydrogen phosphate;N-methylmethanamine is sourced from PubChem (CID 88518083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).