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Molecule
Borane Tert-Butylamine
CAS: 7337-45-3 · C4H14BN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7337-45-3
- Molecular Formula
- C4H14BN
- Molecular Mass
- 86.98 g/mol
Identifiers
CAS Registry Number
7337-45-3
SMILES
[BH3-][NH2+]C(C)(C)C
InChI Key
HJUZMIDACSQXPA-UHFFFAOYSA-N
InChI
InChI=1S/C4H14BN/c1-4(2,3)6-5/h6H2,1-3,5H3
Names and Synonyms
- Borane Tert-Butylamine Synonym
- Boron, trihydro(2-methyl-2-propanamine)-, (T-4)- Synonym
- tert-Butylamine, compd. with borane (1:1) Synonym
- 2-Propanamine, 2-methyl-, compd. with borane (1:1) Synonym
- tert-Butylamine, compd. with BH3 (1:1) Synonym
- tert-Butylamine, compd. with BH3 Synonym
- Borane, compd. with tert-butylamine (1:1) Synonym
- Borane, compd. with 2-methyl-2-propanamine (1:1) Synonym
- (T-4)-Trihydro(2-methyl-2-propanamine)boron Synonym
- tert-Butylamine borane Synonym
- tert-Butylamine-borane (1:1) Synonym
- (tert-Butylamine)trihydroboron Synonym
- NSC 114045 Synonym
- Borane-tert-butylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.98 g/mol | CAS Common Chemistry |
| 86.97499999999998 g/mol | RDKit | |
| 87.121929848 g/mol | RDKit | |
| 86.975 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Borane_tert-butylamine | CAS Common Chemistry |
| Name | tert-Butylamine borane | CAS Common Chemistry |
| Canonical SMILES | [H-][B+3]([H-])([H-])[NH2]C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H14BN/c1-4(2,3)6-5/h6H2,1-3,5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HJUZMIDACSQXPA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96 °C | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 16.61 Ų | RDKit |
| LogP | -1.3713000000000002 | RDKit |
| -1.3713 | RDKit | |
| Molar Refractivity | 31.61739999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 86.973 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 86.98 g/mol. Edit any field — others recompute live.
