(1-15N)pyridin-2-amine

• ChemBase ID: 160467
• Molecular Formular: C5H6N2
• Molecular Mass: 95.1079489
• Monoisotopic Mass: 95.0501331
• SMILES: c1c[15n]c(cc1)N
• Canonical SMILES: Nc1cccc[15n]1
• InChI: InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)/i7+1
• InChIKey: ICSNLGPSRYBMBD-CDYZYAPPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-^1^5N)pyridin-2-amine
• IUPAC Traditional name: (1-^1^5N)pyridin-2-amine
• Synonyms: 2-Pyridinamine-15N; 1,2-Dihydro-2-iminopyridine-15N; 2-Pyridylamine-15N; 2-Aminopyridine-15N

Database IDs

• CAS Number: 54267-60-6
• PubChem SID: 162254602
• PubChem CID: 10844337

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.60386604
• LogD (pH = 7.4): 0.42012146
• Log P: 0.521105
• Molar Refractivity: 28.915 cm^3
• Polarizability: 10.568171 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: Pale Brown Solid

DETAILS

Toronto Research Chemicals - A628987

Compound has been shown to reversibly block voltage-dependent potassium channels, and is also a common impurity from the synthesis of compounds found in hair dyes

REFERENCES

• Williams, D.M., et al.: J. Biol. Chem., 275, 38127 (2000)
• Munoz-Caro, C., et al.: Biophys. Chem., 96, 1 (2000)