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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 Weight:
86.97499999999998 g/mol
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
Identifiers:
SMILES:
[BH3-][NH2+]C(C)(C)C
InChI:
InChI=1S/C4H14BN/c1-4(2,3)6-5/h6H2,1-3,5H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-inchi | InChI=1S/C4H14BN/c1-4(2,3)6-5/h6H2,1-3,5H3 None | Legacy Database |
| molecular_mass | 86.98 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Borane_tert-butylamine None | Legacy Database |
| cas-name | tert-Butylamine borane None | Legacy Database |
| wikipedia-name | Borane tert-butylamine None | Legacy Database |
| cas-canonical-smile | [H-][B+3]([H-])([H-])[NH2]C(C)(C)C None | Legacy Database |
| cas-inchi-key | InChIKey=HJUZMIDACSQXPA-UHFFFAOYSA-N None | Legacy Database |
| LogP | -1.3713000000000002 | RDKit |
| cas-melting-point | 96 °C None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 86.97499999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 87.121929848 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 16.61 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.61739999999999 | RDKit |