(2-methoxypyridin-4-yl)methanamine

• ChemBase ID: 63514
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1ccc(CN)cc1OC
• Canonical SMILES: COc1nccc(c1)CN
• InChI: InChI=1S/C7H10N2O/c1-10-7-4-6(5-8)2-3-9-7/h2-4H,5,8H2,1H3
• InChIKey: UQAHBOKPZNLKRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxypyridin-4-yl)methanamine
• IUPAC Traditional name: (2-methoxypyridin-4-yl)methanamine
• Synonyms: (2-Methoxypyridin-4-yl)methanamine; (2-Methoxy-4-pyridyl)methanamine; (2-methoxypyridin-4-yl)methylamine

Database IDs

• CAS Number: 148900-69-0
• MDL Number: MFCD09054679
• PubChem SID: 162029253
• PubChem CID: 16227983

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6306946
• LogD (pH = 7.4): -1.4656171
• Log P: 0.31812808
• Molar Refractivity: 39.1512 cm^3
• Polarizability: 15.312296 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%; 95+%; 98%