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Dodine
CAS: 2439-10-3 | C15H33N3O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
2439-10-3
Molecular Formula:
C15H33N3O2
Molecular Mass:
287.45 g/mol
Names and Synonyms:
Dodine
Guanidine, N-dodecyl-, acetate (1:1)
Guanidine, dodecyl-, monoacetate
Guanidine, dodecyl-, acetate
Cyprex 65W
American Cyanamid 5,223
Cyprex
Dodecylguanidine acetate
n-Dodecylguanidine acetate
Dodin
Dodine
Doguadine
Laurylguanidine acetate
Melprex
Melprex 65W
Syllit
AC 5223
Karpen
Melprex 65
Aadodin
Dodecylguanidinium acetate
Syllit 65
Carpene
Dodine gorsac
Melprex Liquid Dodine
Radspor
Dodex
Dodex (pesticide)
Comet
Dodine 400
Dodine 544SC
Dodine 600SC
Elast
Cytrex
Identifiers:
SMILES:
CC(=O)O.CCCCCCCCCCCCNC(=N)N
InChI:
InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)
Key Properties
Melting Point
136 °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 | 287.45 g/mol | CAS Common Chemistry |
| 287.4479999999999 g/mol | RDKit | |
| 287.257277296 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C.N=C(N)NCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=YIKWKLYQRFRGPM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 136 °C | CAS Common Chemistry |
| Name | Dodine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 99.2 Ų | RDKit |
| LogP | 3.481270000000001 | RDKit |
| Molar Refractivity | 85.07060000000004 | RDKit |
