N-(pyridin-2-yl)pyridin-2-amine

• ChemBase ID: 109725
• Molecular Formular: C10H9N3
• Molecular Mass: 171.19856
• Monoisotopic Mass: 171.0796473
• SMILES: N(c1ccccn1)c1ccccn1
• Canonical SMILES: c1ccc(nc1)Nc1ccccn1
• InChI: InChI=1S/C10H9N3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h1-8H,(H,11,12,13)
• InChIKey: HMMPCBAWTWYFLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-2-yl)pyridin-2-amine
• IUPAC Traditional name: N-2-pyridinyl-2-pyridinamine
• Synonyms: 2,2'-DIPYRIDYLAMINE; 2,2′-Dipyridylamine; N-(pyridin-2-yl)pyridin-2-amine; 2,2′-二吡啶胺

Database IDs

• CAS Number: 1202-34-2
• EC Number: 214-864-3
• MDL Number: MFCD00006247
• Beilstein Number: 127131
• PubChem SID: 24893648; 162095341
• PubChem CID: 14547

CALCULATED PROPERTIES

• Acid pKa: 13.633978
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9199432
• LogD (pH = 7.4): 2.1627553
• Log P: 2.1667418
• Molar Refractivity: 50.8574 cm^3
• Polarizability: 19.265528 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90-92 °C(lit.); 95 - 97°C
• Boiling Point: 222 °C/50 mmHg(lit.)
• Flash Point: 170 °C; 338 °F
• Hydrophobicity(logP): 1.938

Safety Information

• RTECS: UR3545000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• 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, Gloves

Product Information

• Purity: 95%; 98%
• Empirical Formula (Hill Notation): C10H9N3

DETAILS

MP Biomedicals - 05212350

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D216402

Application
Metal-complexing agent
Packaging
5, 25 g in poly bottle