AMMONIUM BORATE
General Information
| Mainterm | AMMONIUM BORATE |
| CAS Reg.No.(or other ID) | 12007-58-8 |
| Regnum |
175.105 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 71431012 |
| IUPAC Name | diazanium;boric acid;hydrogen borate |
| InChI | InChI=1S/3BH3O3.BHO3.2H3N/c4*2-1(3)4;;/h3*2-4H;2H;2*1H3/q;;;-2;;/p+2 |
| InChI Key | PRJWXGIVWWDQRH-UHFFFAOYSA-P |
| Canonical SMILES | B(O)(O)O.B(O)(O)O.B(O)(O)O.B(O)([O-])[O-].[NH4+].[NH4+] |
| Molecular Formula | B4H18N2O12 |
| Wikipedia | diammonium tetraborate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 281.386 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 0 |
| Complexity | 18.8 |
| CACTVS Substructure Key Fingerprint | A A A D c e O D P A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A I A A A Q C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 250.0 |
| Monoisotopic Mass | 282.123 |
| Exact Mass | 282.123 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 6 |
From Pubchem