N'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid

C4H16N3O4P — CID 18615312

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid
SMILESNCCNCCN.O=P(O)(O)O
InChIInChI=1S/C4H13N3.H3O4P/c5-1-3-7-4-2-6;1-5(2,3)4/h7H,1-6H2;(H3,1,2,3,4)
InChIKeyLFVGOTSWORJXOK-UHFFFAOYSA-N
MW201.16 g/mol
LogP-2.44
Rot. Bonds4

About N'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid

N'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid (PubChem CID 18615312) has the molecular formula C4H16N3O4P and a molecular weight of 201.16 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid
PubChem CID18615312
Molecular FormulaC4H16N3O4P
Molecular Weight201.16 g/mol
Exact Mass201.09
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid
SMILESNCCNCCN.O=P(O)(O)O
InChIInChI=1S/C4H13N3.H3O4P/c5-1-3-7-4-2-6;1-5(2,3)4/h7H,1-6H2;(H3,1,2,3,4)
InChIKeyLFVGOTSWORJXOK-UHFFFAOYSA-N
XLogP-2.44
TPSA141.83 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500201.16
LogP ≤ 5-2.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid (CID 18615312) is N'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid is NCCNCCN.O=P(O)(O)O.
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid?
The InChIKey is LFVGOTSWORJXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3.H3O4P/c5-1-3-7-4-2-6;1-5(2,3)4/h7H,1-6H2;(H3,1,2,3,4).
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid?
N'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid has a molecular weight of 201.16 g/mol, XLogP of -2.44, 4 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)ethane-1,2-diamine;phosphoric acid is sourced from PubChem (CID 18615312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).