ethane-1,2-diamine;methylphosphonic acid

C5H23N2O9P3 — CID 19349473

IUPACethane-1,2-diamine;methylphosphonic acid
SMILESCP(=O)(O)O.CP(=O)(O)O.CP(=O)(O)O.NCCN
InChIInChI=1S/C2H8N2.3CH5O3P/c3-1-2-4;3*1-5(2,3)4/h1-4H2;3*1H3,(H2,2,3,4)
InChIKeyVXAMCGIOKUBAFO-UHFFFAOYSA-N
MW348.17 g/mol
LogP-1.71
Rot. Bonds1

About ethane-1,2-diamine;methylphosphonic acid

ethane-1,2-diamine;methylphosphonic acid (PubChem CID 19349473) has the molecular formula C5H23N2O9P3 and a molecular weight of 348.17 g/mol. Its IUPAC name is ethane-1,2-diamine;methylphosphonic acid.

Molecular Properties

Compound Nameethane-1,2-diamine;methylphosphonic acid
PubChem CID19349473
Molecular FormulaC5H23N2O9P3
Molecular Weight348.17 g/mol
Exact Mass348.06
IUPAC Nameethane-1,2-diamine;methylphosphonic acid
SMILESCP(=O)(O)O.CP(=O)(O)O.CP(=O)(O)O.NCCN
InChIInChI=1S/C2H8N2.3CH5O3P/c3-1-2-4;3*1-5(2,3)4/h1-4H2;3*1H3,(H2,2,3,4)
InChIKeyVXAMCGIOKUBAFO-UHFFFAOYSA-N
XLogP-1.71
TPSA224.63 Ų
H-Bond Donors8
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.17
LogP ≤ 5-1.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

aminomethyl(methyl)phosphinic acid;methylphosphonic acid
CID 158616080
ethane-1,2-diamine;hydrogen phosphate;platinum(2+)
CID 175317536
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;methylphosphonic acid
CID 162177359
aminophosphonic acid;methylphosphonic acid
CID 87311898
methylphosphonic acid;uranium
CID 174844261
methylphosphonic acid;dihydrochloride
CID 87344491
methylphosphonic acid;bis(4,4,4-trifluorobutan-1-amine)
CID 171929841
sodium;carbanide;methylphosphonic acid
CID 157106296
3-aminopropyl(methyl)phosphinic acid chloride
CID 53346869
ethane-1,2-diamine;4-phosphonobutylphosphonic acid
CID 18320900
aminomethyl(methyl)phosphinic acid;butan-1-amine
CID 139413899
2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
CID 86256248

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;methylphosphonic acid?
The IUPAC name of ethane-1,2-diamine;methylphosphonic acid (CID 19349473) is ethane-1,2-diamine;methylphosphonic acid.
What is the SMILES notation for ethane-1,2-diamine;methylphosphonic acid?
The canonical SMILES for ethane-1,2-diamine;methylphosphonic acid is CP(=O)(O)O.CP(=O)(O)O.CP(=O)(O)O.NCCN.
What is the InChIKey of ethane-1,2-diamine;methylphosphonic acid?
The InChIKey is VXAMCGIOKUBAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.3CH5O3P/c3-1-2-4;3*1-5(2,3)4/h1-4H2;3*1H3,(H2,2,3,4).
What are the key properties of ethane-1,2-diamine;methylphosphonic acid?
ethane-1,2-diamine;methylphosphonic acid has a molecular weight of 348.17 g/mol, XLogP of -1.71, 1 rotatable bonds, 8 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;methylphosphonic acid is sourced from PubChem (CID 19349473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).