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Ammonium Boron Oxide ((Nh4)B5O8)
CAS: 12007-89-5 | H4BNO+
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12007-89-5
Molecular Formula:
H4BNO+
Molecular Weight:
44.85 g/mol
Names and Synonyms:
Ammonium Boron Oxide ((Nh4)B5O8)
Common Name
Ammonium pentaborate
Synonym
Ammonium borate ((NH4)2B10O16)
Synonym
Ammonium borate (NH4B5O8)
Synonym
Ammonium pentaborate (NH4B5O8)
Synonym
Boric acid (HB5O8), ammonium salt
Synonym
Ammonium boron oxide ((NH4)B5O8)
Synonym
Identifiers:
SMILES:
[B].[NH4+].[O]
InChI:
InChI=1S/B.H3N.O/h;1H3;/p+1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 44.85 g/mol | Legacy Database |
| density | 1.56 g/cm³ | Legacy Database |
| cas-canonical-smile | [B].[O].[NH4+] None | Legacy Database |
| cas-density | 1.56 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/B.H3N.O/h;1H3;/p+1 None | Legacy Database |
| cas-inchi-key | InChIKey=UVRJJIXFDOUXJS-UHFFFAOYSA-O None | Legacy Database |
| cas-melting-point | 175 °C None | Legacy Database |
| cas-name | Ammonium boron oxide ((NH4)B5O8) None | Legacy Database |
| LogP | -0.12340000000000007 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 44.85 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 45.03804556809 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 65.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.4253 | RDKit |