pyridine-2,6-diamine

• ChemBase ID: 68565
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: c1(cccc(n1)N)N
• Canonical SMILES: Nc1cccc(n1)N
• InChI: InChI=1S/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-3H,(H4,6,7,8)
• InChIKey: VHNQIURBCCNWDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-2,6-diamine
• IUPAC Traditional name: 2,6-pyridinediamine
• Synonyms: 2,6-Diaminopyridine; 2,6-Diaminopyridine; Pyridine-2,6-diamine; pyridine-2,6-diamine; 2,6-Pyridinediamine; 2,6-二氨基吡啶

Database IDs

• CAS Number: 141-86-6
• EC Number: 205-507-2
• MDL Number: MFCD00006329
• Beilstein Number: 108513
• PubChem SID: 24893689; 162034296
• PubChem CID: 8861

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6841582
• LogD (pH = 7.4): -0.9713475
• Log P: 0.28663653
• Molar Refractivity: 33.9289 cm^3
• Polarizability: 11.708931 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117-122 °C(lit.); 118-121°C; 119-122 °C
• Boiling Point: 285 °C(lit.); 288°C
• Flash Point: 155 °C; 155°C(311°F); 311 °F

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Harmful; IRRITANT
• RTECS: US7570000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: UN2671
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 22-36/37/38; 25-36/37/38; 25-36/37-48/21
• Safety Statements: 22-36/37-45; 26; 26-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H301-H319-H335-H373
• GHS Precautionary statements: P260-P301+P310-P305+P351+P338-P321-P405-P501A; P261-P301 + P310-P305 + P351 + P338

Product Information

• Purity: ≥99.0% (GC); 95+%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C5H7N3

DETAILS

MP Biomedicals - 05207169

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157598

Tan to Gray crystals.

Sigma Aldrich - D24404

Packaging
25, 100, 500 g in poly bottle