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Molecule
(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
- 163.073 g/mol
Identifiers
CAS Registry Number
13289-97-9
SMILES
[BH3-][N+](CC)(CC)c1ccccc1
InChI Key
OJPMLDITIICIDN-UHFFFAOYSA-N
InChI
InChI=1S/C10H18BN/c1-3-12(11,4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2,11H3
Names and Synonyms
- (T-4)-(N,N-Diethylbenzenamine)Trihydroboron Synonym
- Boron, (N,N-diethylbenzenamine)trihydro-, (T-4)- Synonym
- Aniline, N,N-diethyl-, compd. with borane (1:1) Synonym
- Aniline, N,N-diethyl-, compd. with BH3 Synonym
- Borane, compd. with N,N-diethylaniline (1:1) Synonym
- (T-4)-(N,N-Diethylbenzenamine)trihydroboron Synonym
- Diethylphenylamine-borane Synonym
- Borane-N,N-diethylaniline Synonym
- N,N-Diethylaniline-borane Synonym
- (N,N-Diethylaniline)trihydroboron Synonym
- NSC 239123 Synonym
- N,N-Diethylaniline borane complex Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| Molecular Mass | 163.073 g/mol | RDKit |
| 163.15322997599998 g/mol | RDKit | |
| 163.071 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 163.07 g/mol | CAS Common Chemistry |
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 = 163.07 g/mol. Edit any field — others recompute live.
