(4-methoxypyridin-2-yl)methanamine

• ChemBase ID: 68189
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: C(N)c1cc(ccn1)OC
• Canonical SMILES: COc1ccnc(c1)CN
• InChI: InChI=1S/C7H10N2O/c1-10-7-2-3-9-6(4-7)5-8/h2-4H,5,8H2,1H3
• InChIKey: SGKAHGGNLZRWQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxypyridin-2-yl)methanamine
• IUPAC Traditional name: (4-methoxypyridin-2-yl)methanamine
• Synonyms: (4-Methoxypyridin-2-yl)methanamine; 1-(4-methoxy-2-pyridinyl)methanamine

Database IDs

• CAS Number: 194658-14-5
• MDL Number: MFCD11111886
• PubChem SID: 162033921
• PubChem CID: 22292761

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8751671
• LogD (pH = 7.4): -1.2552967
• Log P: -0.19485755
• Molar Refractivity: 38.3155 cm^3
• Polarizability: 15.307137 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%