Back to Search
Molecule
1,1,2,2-Diborane(4)Tetramine, N1,N1,N1′,N1′,N2,N2,N2′,N2′-Octamethyl-
CAS: 1630-79-1 · C8H24B2N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1630-79-1
- Molecular Formula
- C8H24B2N4
- Molecular Mass
- 197.93 g/mol
Identifiers
CAS Registry Number
1630-79-1
SMILES
CN(C)B(B(N(C)C)N(C)C)N(C)C
InChI Key
KMCDRSZVZMXKRL-UHFFFAOYSA-N
InChI
InChI=1S/C8H24B2N4/c1-11(2)9(12(3)4)10(13(5)6)14(7)8/h1-8H3
Names and Synonyms
- 1,1,2,2-Diborane(4)Tetramine, N1,N1,N1′,N1′,N2,N2,N2′,N2′-Octamethyl- Systematic Name
- 1,1,2,2-Diborane(4)tetramine, N1,N1,N1′,N1′,N2,N2,N2′,N2′-octamethyl- Synonym
- Diborane(4), tetrakis(dimethylamino)- Synonym
- Diborane(4)tetramine, octamethyl- Synonym
- Tetrakis(dimethylamino)diborane(4) Synonym
- 1,1,2,2-Tetrakis(dimethylamino)diborane(4) Synonym
- Tetrakis(dimethylamino)diborane Synonym
- Tetrakis(dimethylamino)diboron Synonym
- NSC 220326 Synonym
- NSC 665722 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.93 g/mol | CAS Common Chemistry |
| 197.932 g/mol | RDKit | |
| 198.21870756799999 g/mol | RDKit | |
| Canonical SMILES | B(B(N(C)C)N(C)C)(N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H24B2N4/c1-11(2)9(12(3)4)10(13(5)6)14(7)8/h1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KMCDRSZVZMXKRL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,2,2-Diborane(4)tetramine, N1,N1,N1′,N1′,N2,N2,N2′,N2′-octamethyl- | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.96 Ų | RDKit |
| 12.04 Ų | chempirical lib | |
| LogP | -0.7123999999999968 | RDKit |
| -0.7124 | RDKit | |
| Molar Refractivity | 66.25600000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 197.928 g/mol | chempirical lib |
| Boiling Point | 56-57 °C @ 2 Torr | CAS Common Chemistry |
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 = 197.93 g/mol. Edit any field — others recompute live.
