3-ethoxy-N-methylpyridin-2-amine

• ChemBase ID: 297726
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: CCOc1cccnc1NC
• Canonical SMILES: CCOc1cccnc1NC
• InChI: InChI=1S/C8H12N2O/c1-3-11-7-5-4-6-10-8(7)9-2/h4-6H,3H2,1-2H3,(H,9,10)
• InChIKey: USCKALXXIXVIJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-N-methylpyridin-2-amine
• IUPAC Traditional name: 3-ethoxy-N-methylpyridin-2-amine
• Synonyms: 3-Ethoxy-N-methyl-2-pyridinamine; 3-Ethoxy-2-(methylamino)pyridine; 3-乙氧基-2-甲胺基 吡啶

Database IDs

• CAS Number: 912761-74-1
• MDL Number: MFCD08061116
• PubChem SID: 180683257
• PubChem CID: 28054518

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.17345919
• LogD (pH = 7.4): 0.9824334
• Log P: 1.0219457
• Molar Refractivity: 45.6202 cm^3
• Polarizability: 16.77021 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

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: 98%