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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 Mass:
44.85 g/mol
Names and Synonyms:
Ammonium Boron Oxide ((Nh4)B5O8)
Ammonium boron oxide ((NH4)B5O8)
Boric acid (HB5O8), ammonium salt
Ammonium pentaborate (NH4B5O8)
Ammonium borate (NH4B5O8)
Ammonium borate ((NH4)2B10O16)
Ammonium pentaborate
Identifiers:
SMILES:
[B].[NH4+].[O]
InChI:
InChI=1S/B.H3N.O/h;1H3;/p+1
Key Properties
Melting Point
175 °C
CAS Common Chemistry
Density
1.56 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 44.85 g/mol | CAS Common Chemistry |
| 45.03804556809 g/mol | RDKit | |
| Density | 1.56 g/cm³ | CAS Common Chemistry |
| 1.56 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [B].[O].[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/B.H3N.O/h;1H3;/p+1 | CAS Common Chemistry |
| InChI Key | InChIKey=UVRJJIXFDOUXJS-UHFFFAOYSA-O | CAS Common Chemistry |
| Melting Point | 175 °C | CAS Common Chemistry |
| Name | Ammonium boron oxide ((NH4)B5O8) | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 65.0 Ų | RDKit |
| LogP | -0.12340000000000007 | RDKit |
| Molar Refractivity | 12.4253 | RDKit |
