Back to Search
Molecule
(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
Identifiers
CAS Registry Number
4856-95-5
SMILES
[BH3-][NH+]1CCOCC1
InChI Key
OBSVWANYZBVOJW-UHFFFAOYSA-N
InChI
InChI=1S/C4H12BNO/c5-6-1-3-7-4-2-6/h6H,1-4H2,5H3
Names and Synonyms
- (T-4)-Trihydro(Morpholine-Κn4)Boron Synonym
- Morpholine, boron complex Synonym
- Boron, trihydro(morpholine-κN4)-, (T-4)- Synonym
- Morpholine, compd. with borane (1:1) Synonym
- Boron, trihydro(morpholine-N4)-, (T-4)- Synonym
- Morpholine, compd. with BH3 Synonym
- Borane, compd. with morpholine (1:1) Synonym
- (T-4)-Trihydro(morpholine-κN4)boron Synonym
- NSC 93813 Synonym
- Borane, compd. with morpholine Synonym
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 |
| 13.67 Ų | RDKit | |
| 13.59 Ų | chempirical lib | |
| LogP | -2.8180999999999985 | RDKit |
| -2.8181 | RDKit | |
| Molar Refractivity | 31.45469999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 100.956 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 100.96 g/mol. Edit any field — others recompute live.
