Azanide;bis(aminomethyl)phosphinic acid;zinc

Name: Azanide;bis(aminomethyl)phosphinic acid;zinc — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₄H₂₂N₆O₄P₂Zn₃-2 — CID 6394823

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACazanide;bis(aminomethyl)phosphinic acid;zinc

SMILESNCP(=O)(O)CN.NCP(=O)(O)CN.[NH2-].[NH2-].[Zn].[Zn].[Zn]

InChIInChI=1S/2C2H9N2O2P.2H2N.3Zn/c2*3-1-7(5,6)2-4;;;;;/h2*1-4H2,(H,5,6);2*1H2;;;/q;;2*-1;;;

InChIKeyHFXLBQMWCOKNNO-UHFFFAOYSA-N

MW476.38 g/mol

LogP-0.39

Rot. Bonds4

About Azanide;bis(aminomethyl)phosphinic acid;zinc

Azanide;bis(aminomethyl)phosphinic acid;zinc (PubChem CID 6394823) has the molecular formula C₄H₂₂N₆O₄P₂Zn₃-2 and a molecular weight of 476.38 g/mol. Its IUPAC name is azanide;bis(aminomethyl)phosphinic acid;zinc.

Molecular Properties

Compound Name	Azanide;bis(aminomethyl)phosphinic acid;zinc
PubChem CID	6394823
Molecular Formula	C₄H₂₂N₆O₄P₂Zn₃-2
Molecular Weight	476.38 g/mol
Exact Mass	471.91
IUPAC Name	azanide;bis(aminomethyl)phosphinic acid;zinc
SMILES	NCP(=O)(O)CN.NCP(=O)(O)CN.[NH2-].[NH2-].[Zn].[Zn].[Zn]
InChI	InChI=1S/2C2H9N2O2P.2H2N.3Zn/c23-1-7(5,6)2-4;;;;;/h21-4H2,(H,5,6);21H2;;;/q;;2-1;;;
InChIKey	HFXLBQMWCOKNNO-UHFFFAOYSA-N
XLogP	-0.39
TPSA	245.68 Å²
H-Bond Donors	6
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.38
LogP ≤ 5	-0.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Azanide;bis(aminomethyl)phosphinic acid;zinc?

The IUPAC name of Azanide;bis(aminomethyl)phosphinic acid;zinc (CID 6394823) is azanide;bis(aminomethyl)phosphinic acid;zinc.

What is the SMILES notation for Azanide;bis(aminomethyl)phosphinic acid;zinc?

The canonical SMILES for Azanide;bis(aminomethyl)phosphinic acid;zinc is NCP(=O)(O)CN.NCP(=O)(O)CN.[NH2-].[NH2-].[Zn].[Zn].[Zn].

What is the InChIKey of Azanide;bis(aminomethyl)phosphinic acid;zinc?

The InChIKey is HFXLBQMWCOKNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H9N2O2P.2H2N.3Zn/c2*3-1-7(5,6)2-4;;;;;/h2*1-4H2,(H,5,6);2*1H2;;;/q;;2*-1;;;.

What are the key properties of Azanide;bis(aminomethyl)phosphinic acid;zinc?

Azanide;bis(aminomethyl)phosphinic acid;zinc has a molecular weight of 476.38 g/mol, XLogP of -0.39, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Azanide;bis(aminomethyl)phosphinic acid;zinc is sourced from PubChem (CID 6394823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 6394823 — identifiers, structure, computed properties (public domain)

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