Ammonium calcium nitrate

H4CaN2O3 — CID 57348786

IUPAC—
SMILESO=[N+]([O-])[O-].[Ca].[NH4+]
InChIInChI=1S/Ca.NO3.H3N/c;2-1(3)4;/h;;1H3/q;-1;/p+1
InChIKeyNGLMYMJASOJOJY-UHFFFAOYSA-O
MW120.12 g/mol
LogP-0.24
Rot. Bonds

About Ammonium calcium nitrate

Ammonium calcium nitrate (PubChem CID 57348786) has the molecular formula H4CaN2O3 and a molecular weight of 120.12 g/mol.

Molecular Properties

Compound NameAmmonium calcium nitrate
PubChem CID57348786
Molecular FormulaH4CaN2O3
Molecular Weight120.12 g/mol
Exact Mass119.98
IUPAC Name—
SMILESO=[N+]([O-])[O-].[Ca].[NH4+]
InChIInChI=1S/Ca.NO3.H3N/c;2-1(3)4;/h;;1H3/q;-1;/p+1
InChIKeyNGLMYMJASOJOJY-UHFFFAOYSA-O
XLogP-0.24
TPSA102.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azanium;phosphanium;dinitrate
CID 172693026
azanium;gadolinium;nitrate
CID 174958053
azanium;cerium;dinitrate
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azanium;silver;dinitrate
CID 23638970
diazanium;copper;tetranitrate
CID 172846491
diazanium;cerium(4+);hexanitrate;hexahydrate
CID 153426057
technetium(7+) heptanitrate
CID 23031034
niobium(3+) trinitrate
CID 14693735
ruthenium(3+) nitrate
CID 21124620
aluminum trinitrate
CID 26053
platinum pentanitrate
CID 173027999
tetrakis(lanthanum(3+));trinitrate
CID 19804472

Frequently Asked Questions

What is the IUPAC name of Ammonium calcium nitrate?
The IUPAC name of Ammonium calcium nitrate (CID 57348786) is not available.
What is the SMILES notation for Ammonium calcium nitrate?
The canonical SMILES for Ammonium calcium nitrate is O=[N+]([O-])[O-].[Ca].[NH4+].
What is the InChIKey of Ammonium calcium nitrate?
The InChIKey is NGLMYMJASOJOJY-UHFFFAOYSA-O. The full InChI is InChI=1S/Ca.NO3.H3N/c;2-1(3)4;/h;;1H3/q;-1;/p+1.
What are the key properties of Ammonium calcium nitrate?
Ammonium calcium nitrate has a molecular weight of 120.12 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Ammonium calcium nitrate is sourced from PubChem (CID 57348786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).