2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine

• ChemBase ID: 126834
• Molecular Formular: C6H10N6
• Molecular Mass: 166.1838
• Monoisotopic Mass: 166.09669435
• SMILES: C1CC1Nc1nc(nc(n1)N)N
• Canonical SMILES: Nc1nc(NC2CC2)nc(n1)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)
• InChIKey: LVQDKIWDGQRHTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine; N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine
• IUPAC Traditional name: armor; cyromazine
• Synonyms: Cyromazin; N2-Cyclopropyl-1,3,5-triazine-2,4,6-triamine; 2,4-Diamino-6-(cyclopropylamino)-s-triazine; CGA 72662; Cyclopropylmelamine; N-Cyclopropyl-1,3,5-triazine-2,4,6-triamine; Neporex; Patron; Vetrazine; Citation; Larvadex; Trigard; Vetrazin; Cyromazine; N-Cyclopropyl-1,3,5-triazin-2,4,6-triamine; Cyromazin; N-Cyclopropyl-2,4,6-triamino-1,3,5-triazine; 环丙氨嗪; 灭蝇胺; 环丙氨嗪; N-环丙基-2,4,6-三氨基-1,3,5-三嗪

Database IDs

• CAS Number: 66215-27-8
• EC Number: 266-257-8
• MDL Number: MFCD00078650
• Beilstein Number: 882879
• PubChem SID: 162221161; 24868889; 24899161; 24879213
• PubChem CID: 47866
• CHEMBL: 1231107
• KEGG ID: D07767
• Wikipedia Title: Cyromazine

CALCULATED PROPERTIES

• Acid pKa: 14.864383
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -1.7363286
• LogD (pH = 7.4): -0.79316896
• Log P: 0.17258084
• Molar Refractivity: 49.1654 cm^3
• Polarizability: 15.928611 Å^3
• Polar Surface Area: 102.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 219-222 °C; 223-227 °C(lit.)
• Flash Point: 100 °C; 212 °F

Safety Information

• RTECS: XZ1056500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Pharmacology Properties

• Target: Others

Product Information

• Purity: 97%
• Grade: analytical standard; PESTANAL®, analytical standard
• Salt Data: Free base
• Packaging: ampule of 500 mg
• Empirical Formula (Hill Notation): C6H10N6

DETAILS

Sigma Aldrich - 551295

Packaging
25 g in poly bottle

Sigma Aldrich - 45414

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - C989300

Insect growth regulator. Insecticide.

REFERENCES

• Hall, R.D., et al.: J. Econ. Entomol., 73, 564 (1980)
• Hart, R.J., et al.: Aust. Vet. J., 59, 104 (1980)