Back to Search
(T-4)-(N,N-Diethylbenzenamine)Trihydroboron
CAS: 13289-97-9 | C10H18BN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13289-97-9
Molecular Formula:
C10H18BN
Molecular Mass:
163.07 g/mol
Names and Synonyms:
(T-4)-(N,N-Diethylbenzenamine)Trihydroboron
Boron, (N,N-diethylbenzenamine)trihydro-, (T-4)-
Aniline, N,N-diethyl-, compd. with borane (1:1)
Aniline, N,N-diethyl-, compd. with BH3
Borane, compd. with N,N-diethylaniline (1:1)
(T-4)-(N,N-Diethylbenzenamine)trihydroboron
Diethylphenylamine-borane
Borane-N,N-diethylaniline
N,N-Diethylaniline-borane
(N,N-Diethylaniline)trihydroboron
NSC 239123
N,N-Diethylaniline borane complex
Identifiers:
SMILES:
[BH3-][N+](CC)(CC)c1ccccc1
InChI:
InChI=1S/C10H18BN/c1-3-12(11,4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2,11H3
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 | 163.07 g/mol | CAS Common Chemistry |
| 163.073 g/mol | RDKit | |
| 163.15322997599998 g/mol | RDKit | |
| Canonical SMILES | [H-][B+3]([H-])([H-])[N](C=1C=CC=CC1)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H18BN/c1-3-12(11,4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2,11H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OJPMLDITIICIDN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (T-4)-(N,N-Diethylbenzenamine)trihydroboron | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.3141 | RDKit |
| Molar Refractivity | 59.25700000000005 | RDKit |
