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

• ChemBase ID: 108591
• Molecular Formular: C3H6N6
• Molecular Mass: 126.11994
• Monoisotopic Mass: 126.06539422
• SMILES: Nc1nc(N)nc(N)n1
• Canonical SMILES: Nc1nc(N)nc(n1)N
• InChI: InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)
• InChIKey: JDSHMPZPIAZGSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5-triazine-2,4,6-triamine
• IUPAC Traditional name: melamine
• Synonyms: MELANIN; 1,3,5-Triazine-2,4,6-triamine; NSC 2130; 2,4,6-Triamino-s-triazine; Cyanurotriamide; Cyanurotriamine; Cyanuramide; Melamine; 2,4,6-Triamino-1,3,5-triazine; sym-Triaminotriazine; Melamine; Metformin impurity D (Ph Eur); 1,3,5-三嗪-2,4,6-三胺; 对称三氨基三嗪; 三聚氰胺

Database IDs

• CAS Number: 108-78-1
• EC Number: 203-615-4
• MDL Number: MFCD00006055
• Beilstein Number: 124341
• Merck Index: 145811
• PubChem SID: 24896752; 162095656; 24882749
• PubChem CID: 7955
• CHEBI ID: 27915
• Chemspider ID: 7667
• KEGG ID: C08737
• Unique Ingredient Identifier: N3GP2YSD88
• Wikipedia Title: Melamine

CALCULATED PROPERTIES

• Acid pKa: 15.715591
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -2.521429
• LogD (pH = 7.4): -1.7199275
• Log P: -0.59468776
• Molar Refractivity: 36.4608 cm^3
• Polarizability: 11.179959 Å^3
• Polar Surface Area: 116.73 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 3.240 g/l (20 °C) in water; DMSO
• Apperance: White solid; White Solid
• Melting Point: >300 °C(lit.); >300°C (sublimes); 345°C (decomposition); ca 350°C dec.
• Boiling Point: Sublimes
• Flash Point: 300 °C; 572 °F
• Density: 1.573; 1574 kg/m^3

Safety Information

• Storage Condition: Refrigerator
• RTECS: OS0700000
• European Hazard Symbols: X
• German water hazard class: 1
• Risk Statements: 21
• Safety Statements: 36/37-60; R
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H312-H303
• GHS Precautionary statements: P280-P302+P352-P322-P312-P363-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (HPLC); ≥99.0% (HPLC); ≥99.0% (NT); 99%
• Grade: analytical standard; purum
• Ignition Residue: ≤0.1%
• Impurities: ≤10% related substances; ≤5.0% solvents; ≤5.0% water
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C3H6N6

DETAILS

MP Biomedicals - 05207992

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M2659

Packaging
1, 3 kg in poly bottle
5, 100 g in poly bottle

Sigma Aldrich - 52549

Protocols & Applications
Melamine and Related Compounds in Dog Food Using GC-MS

Toronto Research Chemicals - M208700

Forms synthetic resins with formaldehyde.

REFERENCES

• Lipschitz, W., et al.: J. Pharmacol. Exp. Therap., 83, 235 (1945)
• Varghese, et al.: Acta Crystallogr., 33B, 2102 (1945)
• Mast, R., et al.: Food Chem. Toxicol., 21, 807 (1945)
• Smith, J., et al.: Toxicol. Appl. Pharmacol., 125, 296 (1945)