2-[2-(dimethylamino)ethoxy]pyridin-4-amine

• ChemBase ID: 244809
• Molecular Formular: C9H15N3O
• Molecular Mass: 181.2349
• Monoisotopic Mass: 181.12151212
• SMILES: c1c(nccc1N)OCCN(C)C
• Canonical SMILES: CN(CCOc1nccc(c1)N)C
• InChI: InChI=1S/C9H15N3O/c1-12(2)5-6-13-9-7-8(10)3-4-11-9/h3-4,7H,5-6H2,1-2H3,(H2,10,11)
• InChIKey: VINYJNGGVYOFMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(dimethylamino)ethoxy]pyridin-4-amine
• IUPAC Traditional name: 2-[2-(dimethylamino)ethoxy]pyridin-4-amine
• Synonyms: 2-[2-(dimethylamino)ethoxy]pyridin-4-amine

Database IDs

• MDL Number: MFCD15529618
• PubChem SID: 164300719
• PubChem CID: 59244595

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9722474
• LogD (pH = 7.4): -0.887927
• Log P: 0.38207823
• Molar Refractivity: 53.3973 cm^3
• Polarizability: 20.136906 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87 - 89°C
• Hydrophobicity(logP): 1.261

Product Information

• Purity: 95%