sodium;N-ethylethanamine;hydride;phosphoric acid

C4H15NNaO4P — CID 175590291

IUPACsodium;N-ethylethanamine;hydride;phosphoric acid
SMILESCCNCC.O=P(O)(O)O.[H-].[Na+]
InChIInChI=1S/C4H11N.Na.H3O4P.H/c1-3-5-4-2;;1-5(2,3)4;/h5H,3-4H2,1-2H3;;(H3,1,2,3,4);/q;+1;;-1
InChIKeyMMLZCBOHGSFYKL-UHFFFAOYSA-N
MW195.13 g/mol
LogP-3.20
Rot. Bonds2

About sodium;N-ethylethanamine;hydride;phosphoric acid

sodium;N-ethylethanamine;hydride;phosphoric acid (PubChem CID 175590291) has the molecular formula C4H15NNaO4P and a molecular weight of 195.13 g/mol. Its IUPAC name is sodium;N-ethylethanamine;hydride;phosphoric acid.

Molecular Properties

Compound Namesodium;N-ethylethanamine;hydride;phosphoric acid
PubChem CID175590291
Molecular FormulaC4H15NNaO4P
Molecular Weight195.13 g/mol
Exact Mass195.06
IUPAC Namesodium;N-ethylethanamine;hydride;phosphoric acid
SMILESCCNCC.O=P(O)(O)O.[H-].[Na+]
InChIInChI=1S/C4H11N.Na.H3O4P.H/c1-3-5-4-2;;1-5(2,3)4;/h5H,3-4H2,1-2H3;;(H3,1,2,3,4);/q;+1;;-1
InChIKeyMMLZCBOHGSFYKL-UHFFFAOYSA-N
XLogP-3.20
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.13
LogP ≤ 5-3.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174630751
N-ethylethanamine;ethylphosphonic acid
CID 174663902
ethenylphosphonic acid;bis(N-ethylethanamine)
CID 174668506
[bromo(phosphono)methyl]phosphonic acid;N-ethylethanamine
CID 172830708
sodium;hydride;methanol;phosphoric acid
CID 174975511
2-(ethylamino)ethylphosphonic acid
CID 12557409
sodium;hydride;phosphoric acid
CID 3084021
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
trisodium;hydride;phosphoric acid
CID 173046731
sodium;hydride;phosphoric acid
CID 173151585
pentasodium;hydride;phosphoric acid
CID 173157264
sodium;ethanolate;phosphoric acid
CID 158540403

Frequently Asked Questions

What is the IUPAC name of sodium;N-ethylethanamine;hydride;phosphoric acid?
The IUPAC name of sodium;N-ethylethanamine;hydride;phosphoric acid (CID 175590291) is sodium;N-ethylethanamine;hydride;phosphoric acid.
What is the SMILES notation for sodium;N-ethylethanamine;hydride;phosphoric acid?
The canonical SMILES for sodium;N-ethylethanamine;hydride;phosphoric acid is CCNCC.O=P(O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;N-ethylethanamine;hydride;phosphoric acid?
The InChIKey is MMLZCBOHGSFYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.Na.H3O4P.H/c1-3-5-4-2;;1-5(2,3)4;/h5H,3-4H2,1-2H3;;(H3,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;N-ethylethanamine;hydride;phosphoric acid?
sodium;N-ethylethanamine;hydride;phosphoric acid has a molecular weight of 195.13 g/mol, XLogP of -3.20, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-ethylethanamine;hydride;phosphoric acid is sourced from PubChem (CID 175590291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).