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Trimethylamineborane
CAS: 75-22-9 | C3H12BN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-22-9
Molecular Formula:
C3H12BN
Molecular Weight:
72.948 g/mol
Names and Synonyms:
Trimethylamineborane
Common Name
Borane-trimethylamine (1:1)
Synonym
Trimethylamine-borane (1:1)
Synonym
Borane complex with trimethylamine (1:1)
Synonym
(T-4)-(N,N-Dimethylmethanamine)trihydroboron
Synonym
Borane, compd. with N,N-dimethylmethanamine (1:1)
Synonym
Borane, compd. with trimethylamine (1:1)
Synonym
Borine, compd. with Me3N (1:1)
Synonym
Methanamine, N,N-dimethyl-, compd. with borane (1:1)
Synonym
Trimethylamine, compd. with borane (1:1)
Synonym
Boron, (N,N-dimethylmethanamine)trihydro-, (T-4)-
Synonym
(Trimethylazaniumyl)boranuide
Synonym
Me3NBH3
Synonym
Trimethylamine compound with borane (1:1)
Synonym
NSC 53323
Synonym
NSC 145941
Synonym
NSC 10220
Synonym
Trihydro(trimethylamine)boron
Synonym
Trimethylamine borane(3)
Synonym
Trimethylamineborane
Synonym
Identifiers:
SMILES:
[BH3-][N+](C)(C)C
InChI:
InChI=1S/C3H12BN/c1-5(2,3)4/h1-4H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 72.95 g/mol | Legacy Database |
| cas-boiling-point | 172 °C None | Legacy Database |
| cas-canonical-smile | [H-][B+3]([H-])([H-])[N](C)(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C3H12BN/c1-5(2,3)4/h1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=KQVSXUGMDCAISO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 94 °C None | Legacy Database |
| cas-name | Trimethylamineborane None | Legacy Database |
| LogP | -1.0270000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 72.948 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 73.106279784 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 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 | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.971399999999985 | RDKit |