(3-methoxypyridin-4-yl)methanamine

• ChemBase ID: 240970
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1(c(OC)cncc1)CN
• Canonical SMILES: COc1cnccc1CN
• InChI: InChI=1S/C7H10N2O/c1-10-7-5-9-3-2-6(7)4-8/h2-3,5H,4,8H2,1H3
• InChIKey: HORLVFVZWZFFFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxypyridin-4-yl)methanamine
• IUPAC Traditional name: (3-methoxypyridin-4-yl)methanamine
• Synonyms: (3-methoxypyridin-4-yl)methanamine

Database IDs

• CAS Number: 909895-75-6
• MDL Number: MFCD11100731
• PubChem SID: 164296880
• PubChem CID: 20352788

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.101063
• LogD (pH = 7.4): -1.627741
• Log P: -0.27632943
• Molar Refractivity: 38.8377 cm^3
• Polarizability: 15.309624 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.017

Product Information

• Purity: 95%; 98%