calcium;hydride;methanamine;hydrate

CH9CaNO — CID 174963737

IUPACcalcium;hydride;methanamine;hydrate
SMILESCN.O.[Ca+2].[H-].[H-]
InChIInChI=1S/CH5N.Ca.H2O.2H/c1-2;;;;/h2H2,1H3;;1H2;;/q;+2;;2*-1
InChIKeySXBZBKHBAJAADF-UHFFFAOYSA-N
MW91.17 g/mol
LogP-1.41
Rot. Bonds

About calcium;hydride;methanamine;hydrate

calcium;hydride;methanamine;hydrate (PubChem CID 174963737) has the molecular formula CH9CaNO and a molecular weight of 91.17 g/mol. Its IUPAC name is calcium;hydride;methanamine;hydrate.

Molecular Properties

Compound Namecalcium;hydride;methanamine;hydrate
PubChem CID174963737
Molecular FormulaCH9CaNO
Molecular Weight91.17 g/mol
Exact Mass91.03
IUPAC Namecalcium;hydride;methanamine;hydrate
SMILESCN.O.[Ca+2].[H-].[H-]
InChIInChI=1S/CH5N.Ca.H2O.2H/c1-2;;;;/h2H2,1H3;;1H2;;/q;+2;;2*-1
InChIKeySXBZBKHBAJAADF-UHFFFAOYSA-N
XLogP-1.41
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.17
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;methanamine;hydrate?
The IUPAC name of calcium;hydride;methanamine;hydrate (CID 174963737) is calcium;hydride;methanamine;hydrate.
What is the SMILES notation for calcium;hydride;methanamine;hydrate?
The canonical SMILES for calcium;hydride;methanamine;hydrate is CN.O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;methanamine;hydrate?
The InChIKey is SXBZBKHBAJAADF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N.Ca.H2O.2H/c1-2;;;;/h2H2,1H3;;1H2;;/q;+2;;2*-1.
What are the key properties of calcium;hydride;methanamine;hydrate?
calcium;hydride;methanamine;hydrate has a molecular weight of 91.17 g/mol, XLogP of -1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;methanamine;hydrate is sourced from PubChem (CID 174963737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).