trisodium;benzenecarboximidamide;phosphate

C7H8N2Na3O4P — CID 23196456

IUPACtrisodium;benzenecarboximidamide;phosphate
SMILESO=P([O-])([O-])[O-].[H]/N=C(\N)c1ccccc1.[Na+].[Na+].[Na+]
InChIInChI=1S/C7H8N2.3Na.H3O4P/c8-7(9)6-4-2-1-3-5-6;;;;1-5(2,3)4/h1-5H,(H3,8,9);;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyKNFMYSSYYFKXDE-UHFFFAOYSA-K
MW284.09 g/mol
LogP-10.84
Rot. Bonds1

About trisodium;benzenecarboximidamide;phosphate

trisodium;benzenecarboximidamide;phosphate (PubChem CID 23196456) has the molecular formula C7H8N2Na3O4P and a molecular weight of 284.09 g/mol. Its IUPAC name is trisodium;benzenecarboximidamide;phosphate.

Molecular Properties

Compound Nametrisodium;benzenecarboximidamide;phosphate
PubChem CID23196456
Molecular FormulaC7H8N2Na3O4P
Molecular Weight284.09 g/mol
Exact Mass283.99
IUPAC Nametrisodium;benzenecarboximidamide;phosphate
SMILESO=P([O-])([O-])[O-].[H]/N=C(\N)c1ccccc1.[Na+].[Na+].[Na+]
InChIInChI=1S/C7H8N2.3Na.H3O4P/c8-7(9)6-4-2-1-3-5-6;;;;1-5(2,3)4/h1-5H,(H3,8,9);;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyKNFMYSSYYFKXDE-UHFFFAOYSA-K
XLogP-10.84
TPSA136.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 5-10.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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benzenecarboximidamide;trimethylsulfanium;chloride
CID 158339380
benzenecarboximidamide;propanoic acid
CID 159833627
benzenecarboximidamide;1H-pyrrole
CID 158593667
ethane;4-phenylbenzenecarboximidamide
CID 91221015
benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292
azanium 3-carbamimidoylbenzoate
CID 69273733
benzenecarboximidamide;2-bromo-1-(4-methylsulfonylphenyl)ethanone
CID 160887992
4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide
CID 174325518
tripotassium;benzoic acid;phosphate
CID 174758799

Frequently Asked Questions

What is the IUPAC name of trisodium;benzenecarboximidamide;phosphate?
The IUPAC name of trisodium;benzenecarboximidamide;phosphate (CID 23196456) is trisodium;benzenecarboximidamide;phosphate.
What is the SMILES notation for trisodium;benzenecarboximidamide;phosphate?
The canonical SMILES for trisodium;benzenecarboximidamide;phosphate is O=P([O-])([O-])[O-].[H]/N=C(\N)c1ccccc1.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;benzenecarboximidamide;phosphate?
The InChIKey is KNFMYSSYYFKXDE-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H8N2.3Na.H3O4P/c8-7(9)6-4-2-1-3-5-6;;;;1-5(2,3)4/h1-5H,(H3,8,9);;;;(H3,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of trisodium;benzenecarboximidamide;phosphate?
trisodium;benzenecarboximidamide;phosphate has a molecular weight of 284.09 g/mol, XLogP of -10.84, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;benzenecarboximidamide;phosphate is sourced from PubChem (CID 23196456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).