3-methoxy-N-methylpyridin-2-amine

• ChemBase ID: 242925
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1(ncccc1OC)NC
• Canonical SMILES: CNc1ncccc1OC
• InChI: InChI=1S/C7H10N2O/c1-8-7-6(10-2)4-3-5-9-7/h3-5H,1-2H3,(H,8,9)
• InChIKey: GOMBDEGBFABWLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-N-methylpyridin-2-amine
• IUPAC Traditional name: 3-methoxy-N-methylpyridin-2-amine
• Synonyms: 3-methoxy-N-methylpyridin-2-amine; 3-Methoxy-N-methyl-2-pyridinamine; 3-Methoxy-2-(methylamino)pyridine; 3-甲氧基-2-甲胺基吡啶

Database IDs

• CAS Number: 1171098-29-5
• MDL Number: MFCD08061117
• PubChem SID: 164298835
• PubChem CID: 23365103

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.1897198
• LogD (pH = 7.4): 0.6248101
• Log P: 0.66513777
• Molar Refractivity: 40.8716 cm^3
• Polarizability: 14.930394 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.565

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 98%