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(T-4)-Trihydro(Morpholine-Κn4)Boron
CAS: 4856-95-5 | C4H12BNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4856-95-5
Molecular Formula:
C4H12BNO
Molecular Mass:
100.96 g/mol
Names and Synonyms:
(T-4)-Trihydro(Morpholine-Κn4)Boron
Morpholine, boron complex
Boron, trihydro(morpholine-κN4)-, (T-4)-
Morpholine, compd. with borane (1:1)
Boron, trihydro(morpholine-N4)-, (T-4)-
Morpholine, compd. with BH3
Borane, compd. with morpholine (1:1)
(T-4)-Trihydro(morpholine-κN4)boron
NSC 93813
Borane, compd. with morpholine
Identifiers:
SMILES:
[BH3-][NH+]1CCOCC1
InChI:
InChI=1S/C4H12BNO/c5-6-1-3-7-4-2-6/h6H,1-4H2,5H3
Key Properties
Melting Point
95 °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 | 100.96 g/mol | CAS Common Chemistry |
| 100.958 g/mol | RDKit | |
| 101.101194404 g/mol | RDKit | |
| Canonical SMILES | [H-][B+3]([H-])([H-])[NH]1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H12BNO/c5-6-1-3-7-4-2-6/h6H,1-4H2,5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OBSVWANYZBVOJW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95 °C | CAS Common Chemistry |
| Name | (T-4)-Trihydro(morpholine-κN4)boron | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 13.670000000000002 Ų | RDKit |
| LogP | -2.8180999999999985 | RDKit |
| Molar Refractivity | 31.45469999999999 | RDKit |
