Back to Search
Decyldimethylamine Oxide
CAS: 2605-79-0 | C12H27NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2605-79-0
Molecular Formula:
C12H27NO
Molecular Mass:
201.35 g/mol
Names and Synonyms:
Decyldimethylamine Oxide
1-Decanamine, N,N-dimethyl-, N-oxide
Decylamine, N,N-dimethyl-, N-oxide
N,N-Dimethyl-n-decylamine oxide
Decyldimethylamine oxide
Barlox 10S
Decyl-N,N-dimethylamine oxide
N-Decyl-N,N-dimethylamine oxide
N,N-Dimethyl-1-decanamine oxide
Dimethyl decylamine oxide
Tegotens DO
Ammonyx C 10
Aromox DM 10DW
Genaminox K 10
Ammonyx DO
Decyldimethylamine N-oxide
Mackamine 065
Ammonyx DO-C 10
Genaminox DC 40
Euroxide DO 40
Amphitol 10N
N,N-Dimethyl-N-decylamine N-oxide
Cadenax DM 10DW
Ammonyx DO 40
Decylamine oxide
Mackamine 654
Identifiers:
SMILES:
CCCCCCCCCC[N+](C)(C)[O-]
InChI:
InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3
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 | 201.35 g/mol | CAS Common Chemistry |
| 201.35399999999998 g/mol | RDKit | |
| 201.209264484 g/mol | RDKit | |
| Canonical SMILES | O=N(C)(C)CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZRKZFNZPJKEWPC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Decyldimethylamine oxide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.06 Ų | RDKit |
| LogP | 3.7013000000000025 | RDKit |
| Molar Refractivity | 62.95240000000006 | RDKit |
