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Molecule
Dodine
CAS: 2439-10-3 · C15H33N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2439-10-3
- Molecular Formula
- C15H33N3O2
- Molecular Mass
- 287.45 g/mol
Identifiers
CAS Registry Number
2439-10-3
SMILES
CC(=O)O.CCCCCCCCCCCCNC(=N)N
InChI Key
YIKWKLYQRFRGPM-UHFFFAOYSA-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)
Names and Synonyms
- Dodine Synonym
- Guanidine, N-dodecyl-, acetate (1:1) Synonym
- Guanidine, dodecyl-, monoacetate Synonym
- Guanidine, dodecyl-, acetate Synonym
- Cyprex 65W Synonym
- American Cyanamid 5,223 Synonym
- Cyprex Synonym
- Dodecylguanidine acetate Synonym
- n-Dodecylguanidine acetate Synonym
- Dodin Synonym
- Dodine Synonym
- Doguadine Synonym
- Laurylguanidine acetate Synonym
- Melprex Synonym
- Melprex 65W Synonym
- Syllit Synonym
- AC 5223 Synonym
- Karpen Synonym
- Melprex 65 Synonym
- Aadodin Synonym
- Dodecylguanidinium acetate Synonym
- Syllit 65 Synonym
- Carpene Synonym
- Dodine gorsac Synonym
- Melprex Liquid Dodine Synonym
- Radspor Synonym
- Dodex Synonym
- Dodex (pesticide) Synonym
- Comet Synonym
- Dodine 400 Synonym
- Dodine 544SC Synonym
- Dodine 600SC Synonym
- Elast Synonym
- Cytrex Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 287.45 g/mol | CAS Common Chemistry |
| 287.4479999999999 g/mol | RDKit | |
| 287.448 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 |
| 3.4813 | RDKit | |
| Molar Refractivity | 85.07060000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8667 | RDKit |
| 0.87 | chempirical lib | |
| Exact Mass | 287.257277296 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 287.45 g/mol. Edit any field — others recompute live.
