2-N-(2-methoxyethyl)pyridine-2,5-diamine

• ChemBase ID: 263955
• Molecular Formular: C8H13N3O
• Molecular Mass: 167.20832
• Monoisotopic Mass: 167.10586205
• SMILES: n1c(NCCOC)ccc(c1)N
• Canonical SMILES: COCCNc1ccc(cn1)N
• InChI: InChI=1S/C8H13N3O/c1-12-5-4-10-8-3-2-7(9)6-11-8/h2-3,6H,4-5,9H2,1H3,(H,10,11)
• InChIKey: PZIXLLPFBDCRJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-(2-methoxyethyl)pyridine-2,5-diamine
• IUPAC Traditional name: 2-N-(2-methoxyethyl)pyridine-2,5-diamine
• Synonyms: 2-N-(2-methoxyethyl)pyridine-2,5-diamine

Database IDs

• MDL Number: MFCD09046931
• PubChem SID: 164319865
• PubChem CID: 16774538

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2849562
• LogD (pH = 7.4): -0.20832485
• Log P: -0.053092416
• Molar Refractivity: 50.1523 cm^3
• Polarizability: 17.929573 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.788

Product Information

• Purity: 95%