(2-methoxypyridin-3-yl)methanamine

• ChemBase ID: 59044
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1cnc(c(c1)CN)OC
• Canonical SMILES: COc1ncccc1CN
• InChI: InChI=1S/C7H10N2O/c1-10-7-6(5-8)3-2-4-9-7/h2-4H,5,8H2,1H3
• InChIKey: ITKBAOSPYUIRMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxypyridin-3-yl)methanamine
• IUPAC Traditional name: (2-methoxypyridin-3-yl)methanamine
• Synonyms: [(2-Methoxypyridin-3-yl)methyl]amine; (2-Methoxypyridin-3-yl)methanamine; (2-methoxypyridin-3-yl)methylamine

Database IDs

• CAS Number: 354824-19-4
• MDL Number: MFCD09740382
• PubChem SID: 162063807
• PubChem CID: 16793564

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.460355
• LogD (pH = 7.4): -0.93059635
• Log P: 0.31812808
• Molar Refractivity: 39.1512 cm^3
• Polarizability: 15.31271 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.417

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%