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Ammonia Borane
CAS: 13774-81-7 | H6BN
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
13774-81-7
Molecular Formula:
H6BN
Molecular Weight:
30.866999999999997 g/mol
Names and Synonyms:
Ammonia Borane
Synonym
Boron, amminetrihydro-, (T-4)-
Synonym
Borane, monoammoniate
Synonym
Borane, ammoniate
Synonym
Borine, ammoniate
Synonym
(T-4)-Amminetrihydroboron
Synonym
Ammonia borane
Synonym
Borazane
Synonym
Amminetrihydroboron
Synonym
Ammineborane
Synonym
Ammonia compd. with borane (1:1)
Synonym
Ammonia, mixt. contg.
Synonym
Borane, mixt. with ammonia
Synonym
Identifiers:
SMILES:
[BH3-][NH3+]
InChI:
InChI=1S/BH6N/c1-2/h1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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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 | 30.87 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ammonia_borane None | Legacy Database |
| cas-canonical-smile | [H-][B+3]([H-])([H-])[NH3] None | Legacy Database |
| cas-inchi | InChI=1S/BH6N/c1-2/h1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=PJYXJGDRFASJSB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 111-114 °C None | Legacy Database |
| cas-name | Ammonia borane None | Legacy Database |
| wikipedia-name | Ammonia borane None | Legacy Database |
| LogP | -2.4913000000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 30.866999999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 31.059329592 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 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 | 27.64 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.827099999999998 | RDKit |