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Molecule
Cyromazine
CAS: 66215-27-8 · C6H10N6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 66215-27-8
- Molecular Formula
- C6H10N6
- Molecular Mass
- 166.19 g/mol
Identifiers
CAS Registry Number
66215-27-8
SMILES
N=c1[nH]c(=N)[nH]c(=NC2CC2)[nH]1
InChI Key
LVQDKIWDGQRHTE-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)
Names and Synonyms
- Cyromazine Synonym
- 1,3,5-Triazine-2,4,6-triamine, N2-cyclopropyl- Synonym
- 1,3,5-Triazine-2,4,6-triamine, N-cyclopropyl- Synonym
- N2-Cyclopropyl-1,3,5-triazine-2,4,6-triamine Synonym
- Vetrazin Synonym
- Vetrazine Synonym
- Vetrazin (pesticide) Synonym
- 2-Cyclopropylamino-4,6-diamino-s-triazine Synonym
- CGA 72662 Synonym
- Larvadex Synonym
- Cyclopropylmelamine Synonym
- Cyromazine Synonym
- N-Cyclopropyl-1,3,5-triazine-2,4,6-triamine Synonym
- Trigard Synonym
- 2,4-Diamino-6-(cyclopropylamino)-s-triazine Synonym
- Neporex Synonym
- Citation Synonym
- Vetrazin Liquid Synonym
- Patron Synonym
- Cyromazin Synonym
- 2,4-Diamino-6-cyclopropylamino-1,3,5-triazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.19 g/mol | CAS Common Chemistry |
| 166.188 g/mol | RDKit | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.35 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyromazine | CAS Common Chemistry |
| Canonical SMILES | N=1C(=NC(=NC1N)NC2CC2)N | CAS Common Chemistry |
| InChI | InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=LVQDKIWDGQRHTE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 219-222 °C | CAS Common Chemistry |
| Name | Cyromazine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 107.43 Ų | RDKit |
| LogP | -1.3070599999999999 | RDKit |
| -1.3071 | RDKit | |
| Molar Refractivity | 39.788500000000006 cm³/mol | RDKit |
| Formal Charge | 0 | chempirical lib |
| Ring Count | 2 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 166.09669431999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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
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MW = 166.19 g/mol; density = 1.350 g/mL. Edit any field — others recompute live.
