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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 Mass:
72.95 g/mol
Names and Synonyms:
Trimethylamineborane
Boron, (N,N-dimethylmethanamine)trihydro-, (T-4)-
Trimethylamine, compd. with borane (1:1)
Methanamine, N,N-dimethyl-, compd. with borane (1:1)
Borine, compd. with Me3N (1:1)
Borane, compd. with trimethylamine (1:1)
Borane, compd. with N,N-dimethylmethanamine (1:1)
(T-4)-(N,N-Dimethylmethanamine)trihydroboron
Borane complex with trimethylamine (1:1)
Trimethylamine-borane (1:1)
Borane-trimethylamine (1:1)
Trimethylamineborane
Trimethylamine borane(3)
Trihydro(trimethylamine)boron
NSC 10220
NSC 145941
NSC 53323
Trimethylamine compound with borane (1:1)
Me3NBH3
(Trimethylazaniumyl)boranuide
Identifiers:
SMILES:
[BH3-][N+](C)(C)C
InChI:
InChI=1S/C3H12BN/c1-5(2,3)4/h1-4H3
Key Properties
Boiling Point
172 °C
CAS Common Chemistry
Melting Point
94 °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 | 72.95 g/mol | CAS Common Chemistry |
| 72.948 g/mol | RDKit | |
| 73.106279784 g/mol | RDKit | |
| Boiling Point | 172 °C | CAS Common Chemistry |
| Canonical SMILES | [H-][B+3]([H-])([H-])[N](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H12BN/c1-5(2,3)4/h1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KQVSXUGMDCAISO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94 °C | CAS Common Chemistry |
| Name | Trimethylamineborane | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -1.0270000000000001 | RDKit |
| Molar Refractivity | 27.971399999999985 | RDKit |
