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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)
Ammonium pentaborate
Ammonium borate ((NH4)2B10O16)
Ammonium borate (NH4B5O8)
Ammonium pentaborate (NH4B5O8)
Boric acid (HB5O8), ammonium salt
Ammonium boron oxide ((NH4)B5O8)
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
6
5
4
3
2
1
0 ppm
Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
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 |