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Dy 9577
CAS: 34762-90-8 | C10H23BCl3N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34762-90-8
Molecular Formula:
C10H23BCl3N
Molecular Mass:
274.47 g/mol
Names and Synonyms:
Dy 9577
Boron, trichloro(N,N-dimethyl-1-octanamine)-, (T-4)-
1-Octanamine, N,N-dimethyl-, compd. with trichloroborane (1:1)
Borane, trichloro-, compd. with N,N-dimethyl-1-octanamine (1:1)
1-Octanamine, N,N-dimethyl-, boron complex
(T-4)-Trichloro(N,N-dimethyl-1-octanamine)boron
Boron trichloride-octyldimethylamine complex (1:1)
Boron trichloride-dimethyloctylamine compd. (1:1)
Boron trichloride-octyldimethylamine compd. (1:1)
Boron trichloride compd. with octyldimethylamine (1:1)
Boron trichloride-N,N-dimethyloctylamine complex (1:1)
Araldite DY 9577
DY 9577
Boron trichloride-N,N-dimethyloctylamine adduct (1:1)
Identifiers:
SMILES:
CCCCCCCC[N+](C)(C)[B-](Cl)(Cl)Cl
InChI:
InChI=1S/C10H23BCl3N/c1-4-5-6-7-8-9-10-15(2,3)11(12,13)14/h4-10H2,1-3H3
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 | 274.47 g/mol | CAS Common Chemistry |
| 274.47200000000004 g/mol | RDKit | |
| 273.098913176 g/mol | RDKit | |
| Canonical SMILES | [Cl-][B+3]([Cl-])([Cl-])[N](C)(C)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H23BCl3N/c1-4-5-6-7-8-9-10-15(2,3)11(12,13)14/h4-10H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FXWXWPYCGVUYAA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | DY 9577 | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.575300000000004 | RDKit |
| Molar Refractivity | 73.66440000000006 | RDKit |
