calcium;tetrakis(2-azanidylethylazanide);dibromide

C8H24Br2CaN8-8 — CID 57397119

IUPACcalcium;tetrakis(2-azanidylethylazanide);dibromide
SMILES[Br-].[Br-].[Ca+2].[NH-]CC[NH-].[NH-]CC[NH-].[NH-]CC[NH-].[NH-]CC[NH-]
InChIInChI=1S/4C2H6N2.2BrH.Ca/c4*3-1-2-4;;;/h4*3-4H,1-2H2;2*1H;/q4*-2;;;+2/p-2
InChIKeyIOFQPQQLZNWGST-UHFFFAOYSA-L
MW432.22 g/mol
LogP-2.01
Rot. Bonds4

About calcium;tetrakis(2-azanidylethylazanide);dibromide

calcium;tetrakis(2-azanidylethylazanide);dibromide (PubChem CID 57397119) has the molecular formula C8H24Br2CaN8-8 and a molecular weight of 432.22 g/mol. Its IUPAC name is calcium;tetrakis(2-azanidylethylazanide);dibromide.

Molecular Properties

Compound Namecalcium;tetrakis(2-azanidylethylazanide);dibromide
PubChem CID57397119
Molecular FormulaC8H24Br2CaN8-8
Molecular Weight432.22 g/mol
Exact Mass430.02
IUPAC Namecalcium;tetrakis(2-azanidylethylazanide);dibromide
SMILES[Br-].[Br-].[Ca+2].[NH-]CC[NH-].[NH-]CC[NH-].[NH-]CC[NH-].[NH-]CC[NH-]
InChIInChI=1S/4C2H6N2.2BrH.Ca/c4*3-1-2-4;;;/h4*3-4H,1-2H2;2*1H;/q4*-2;;;+2/p-2
InChIKeyIOFQPQQLZNWGST-UHFFFAOYSA-L
XLogP-2.01
TPSA190.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.22
LogP ≤ 5-2.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of calcium;tetrakis(2-azanidylethylazanide);dibromide?
The IUPAC name of calcium;tetrakis(2-azanidylethylazanide);dibromide (CID 57397119) is calcium;tetrakis(2-azanidylethylazanide);dibromide.
What is the SMILES notation for calcium;tetrakis(2-azanidylethylazanide);dibromide?
The canonical SMILES for calcium;tetrakis(2-azanidylethylazanide);dibromide is [Br-].[Br-].[Ca+2].[NH-]CC[NH-].[NH-]CC[NH-].[NH-]CC[NH-].[NH-]CC[NH-].
What is the InChIKey of calcium;tetrakis(2-azanidylethylazanide);dibromide?
The InChIKey is IOFQPQQLZNWGST-UHFFFAOYSA-L. The full InChI is InChI=1S/4C2H6N2.2BrH.Ca/c4*3-1-2-4;;;/h4*3-4H,1-2H2;2*1H;/q4*-2;;;+2/p-2.
What are the key properties of calcium;tetrakis(2-azanidylethylazanide);dibromide?
calcium;tetrakis(2-azanidylethylazanide);dibromide has a molecular weight of 432.22 g/mol, XLogP of -2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;tetrakis(2-azanidylethylazanide);dibromide is sourced from PubChem (CID 57397119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).