(6-methoxypyridin-3-yl)methanamine

• ChemBase ID: 89616
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1c(ccc(c1)CN)OC
• Canonical SMILES: NCc1ccc(nc1)OC
• InChI: InChI=1S/C7H10N2O/c1-10-7-3-2-6(4-8)5-9-7/h2-3,5H,4,8H2,1H3
• InChIKey: AUOIYQDHPOAYQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methoxypyridin-3-yl)methanamine
• IUPAC Traditional name: (6-methoxypyridin-3-yl)methanamine
• Synonyms: (6-Methoxypyridin-3-yl)methylamine; alpha-Amino-6-methoxy-3-picoline; 5-(Aminomethyl)-2-methoxypyridine; (6-methoxypyridin-3-yl)methylamine; (6-methoxypyridin-3-yl)methanamine

Database IDs

• CAS Number: 262295-96-5
• MDL Number: MFCD06212825
• PubChem SID: 162076481
• PubChem CID: 16227379

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6240644
• LogD (pH = 7.4): -1.431828
• Log P: 0.31812808
• Molar Refractivity: 39.1512 cm^3
• Polarizability: 15.312547 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: Harmful/Irritant/Store under Argon

Product Information

• Purity: 95%; 98%