4-methoxypyridin-3-amine

• ChemBase ID: 67717
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1c(c(ccn1)OC)N
• Canonical SMILES: COc1ccncc1N
• InChI: InChI=1S/C6H8N2O/c1-9-6-2-3-8-4-5(6)7/h2-4H,7H2,1H3
• InChIKey: STWMPIWLSQKHSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxypyridin-3-amine
• IUPAC Traditional name: 4-methoxypyridin-3-amine
• Synonyms: 3-Amino-4-methoxypyridine; 4-Methoxypyridin-3-amine; 4-methoxypyridin-3-amine

Database IDs

• CAS Number: 33631-09-3
• MDL Number: MFCD07374959
• PubChem SID: 162033452
• PubChem CID: 5200343

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0651569
• LogD (pH = 7.4): -0.31668875
• Log P: -0.23102383
• Molar Refractivity: 35.0647 cm^3
• Polarizability: 13.089992 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.942

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%