N-(2-methoxyethyl)pyridin-4-amine

• ChemBase ID: 274452
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: n1ccc(NCCOC)cc1
• Canonical SMILES: COCCNc1ccncc1
• InChI: InChI=1S/C8H12N2O/c1-11-7-6-10-8-2-4-9-5-3-8/h2-5H,6-7H2,1H3,(H,9,10)
• InChIKey: KFHOLWYSEDQVIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)pyridin-4-amine
• IUPAC Traditional name: N-(2-methoxyethyl)pyridin-4-amine
• Synonyms: N-(2-methoxyethyl)pyridin-4-amine

Database IDs

• MDL Number: MFCD11120010
• PubChem SID: 164330362
• PubChem CID: 29273443

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.80211085
• LogD (pH = 7.4): -0.6830464
• Log P: 0.18137601
• Molar Refractivity: 45.1384 cm^3
• Polarizability: 16.779633 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.115

Product Information

• Purity: 95%