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Molecule
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
Identifiers
CAS Registry Number
75-22-9
SMILES
[BH3-][N+](C)(C)C
InChI Key
KQVSXUGMDCAISO-UHFFFAOYSA-N
InChI
InChI=1S/C3H12BN/c1-5(2,3)4/h1-4H3
Names and Synonyms
- Trimethylamineborane Common Name
- Boron, (N,N-dimethylmethanamine)trihydro-, (T-4)- Synonym
- Trimethylamine, compd. with borane (1:1) Synonym
- Methanamine, N,N-dimethyl-, compd. with borane (1:1) Synonym
- Borine, compd. with Me3N (1:1) Synonym
- Borane, compd. with trimethylamine (1:1) Synonym
- Borane, compd. with N,N-dimethylmethanamine (1:1) Synonym
- (T-4)-(N,N-Dimethylmethanamine)trihydroboron Synonym
- Borane complex with trimethylamine (1:1) Synonym
- Trimethylamine-borane (1:1) Synonym
- Borane-trimethylamine (1:1) Synonym
- Trimethylamineborane Synonym
- Trimethylamine borane(3) Synonym
- Trihydro(trimethylamine)boron Synonym
- NSC 10220 Synonym
- NSC 145941 Synonym
- NSC 53323 Synonym
- Trimethylamine compound with borane (1:1) Synonym
- Me3NBH3 Synonym
- (Trimethylazaniumyl)boranuide Synonym
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 |
| -1.027 | RDKit | |
| Molar Refractivity | 27.971399999999985 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 72.946 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
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MW = 72.95 g/mol. Edit any field — others recompute live.
