N-ethyl-3-methoxypyridin-2-amine

• ChemBase ID: 297727
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: CCNc1c(cccn1)OC
• Canonical SMILES: CCNc1ncccc1OC
• InChI: InChI=1S/C8H12N2O/c1-3-9-8-7(11-2)5-4-6-10-8/h4-6H,3H2,1-2H3,(H,9,10)
• InChIKey: ZHSBBKCVTLHSHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-methoxypyridin-2-amine
• IUPAC Traditional name: N-ethyl-3-methoxypyridin-2-amine
• Synonyms: N-Ethyl-3-methoxy-2-pyridinamine; 2-Ethylamino-3-methoxypyridine; 2-乙基胺-3-甲氧基吡啶

Database IDs

• CAS Number: 912761-77-4
• MDL Number: MFCD08061118
• PubChem SID: 180683258
• PubChem CID: 28054519

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.18787809
• LogD (pH = 7.4): 0.9842158
• Log P: 1.0219457
• Molar Refractivity: 45.6202 cm^3
• Polarizability: 16.77025 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: 99%