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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 Mass:
86.98 g/mol
Names and Synonyms:
Borane Tert-Butylamine
Boron, trihydro(2-methyl-2-propanamine)-, (T-4)-
tert-Butylamine, compd. with borane (1:1)
2-Propanamine, 2-methyl-, compd. with borane (1:1)
tert-Butylamine, compd. with BH3 (1:1)
tert-Butylamine, compd. with BH3
Borane, compd. with tert-butylamine (1:1)
Borane, compd. with 2-methyl-2-propanamine (1:1)
(T-4)-Trihydro(2-methyl-2-propanamine)boron
tert-Butylamine borane
tert-Butylamine-borane (1:1)
(tert-Butylamine)trihydroboron
NSC 114045
Borane-tert-butylamine
Identifiers:
SMILES:
[BH3-][NH2+]C(C)(C)C
InChI:
InChI=1S/C4H14BN/c1-4(2,3)6-5/h6H2,1-3,5H3
Key Properties
Melting Point
96 °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 | 86.98 g/mol | CAS Common Chemistry |
| 86.97499999999998 g/mol | RDKit | |
| 87.121929848 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Borane_tert-butylamine | CAS Common Chemistry |
| Name | tert-Butylamine borane | CAS Common Chemistry |
| Borane tert-butylamine | 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 |
| Molar Refractivity | 31.61739999999999 | RDKit |
