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Molecule
Ammonia Borane
CAS: 13774-81-7 · H6BN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13774-81-7
- Molecular Formula
- H6BN
- Molecular Mass
- 30.87 g/mol
Identifiers
CAS Registry Number
13774-81-7
SMILES
[BH3-][NH3+]
InChI Key
PJYXJGDRFASJSB-UHFFFAOYSA-N
InChI
InChI=1S/BH6N/c1-2/h1-2H3
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 30.87 g/mol | CAS Common Chemistry |
| 30.866999999999997 g/mol | RDKit | |
| 31.059329592 g/mol | RDKit | |
| 30.867 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonia_borane | CAS Common Chemistry |
| Canonical SMILES | [H-][B+3]([H-])([H-])[NH3] | CAS Common Chemistry |
| InChI | InChI=1S/BH6N/c1-2/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PJYXJGDRFASJSB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 111-114 °C | CAS Common Chemistry |
| Name | Ammonia borane | CAS Common Chemistry |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.64 Ų | RDKit |
| 26.02 Ų | chempirical lib | |
| LogP | -2.4913000000000003 | RDKit |
| -2.4913 | RDKit | |
| Molar Refractivity | 12.827099999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 30.865 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 30.87 g/mol. Edit any field — others recompute live.
