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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
Names and Synonyms:
Ammonia Borane
Boron, amminetrihydro-, (T-4)-
Borane, monoammoniate
Borane, ammoniate
Borine, ammoniate
(T-4)-Amminetrihydroboron
Ammonia borane
Borazane
Amminetrihydroboron
Ammineborane
Ammonia compd. with borane (1:1)
Ammonia, mixt. contg.
Borane, mixt. with ammonia
Identifiers:
SMILES:
[BH3-][NH3+]
InChI:
InChI=1S/BH6N/c1-2/h1-2H3
Key Properties
Melting Point
111-114 °C
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 | 30.87 g/mol | CAS Common Chemistry |
| 30.866999999999997 g/mol | RDKit | |
| 31.059329592 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 |
| LogP | -2.4913000000000003 | RDKit |
| Molar Refractivity | 12.827099999999998 | RDKit |
