6-methoxy-2-methylquinoline

• ChemBase ID: 9467
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c1(ccc2c(c1)ccc(n2)C)OC
• Canonical SMILES: COc1ccc2c(c1)ccc(n2)C
• InChI: InChI=1S/C11H11NO/c1-8-3-4-9-7-10(13-2)5-6-11(9)12-8/h3-7H,1-2H3
• InChIKey: NAGJQQFMJKMXJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-methylquinoline
• IUPAC Traditional name: 6-methoxy-2-methylquinoline
• Synonyms: 6-Methoxyquinaldine; 6-Methoxy-2-methylquinoline; 6-Methoxyquinaldine; 6-Methoxyquinaldine; 6-Methoxy-2-methylquinoline; 6-甲氧基-2-甲基喹啉; 6-甲氧基喹哪啶

Database IDs

• CAS Number: 1078-28-0
• EC Number: 214-080-1
• MDL Number: MFCD00006761
• PubChem SID: 24846604; 160972774
• PubChem CID: 70648

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9131237
• LogD (pH = 7.4): 2.1015542
• Log P: 2.1045995
• Molar Refractivity: 51.034 cm^3
• Polarizability: 21.280079 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62-64 °C(lit.); 62-64°C; 62-66°C
• Flash Point: 47°C(117°F)
• Density: 0.973

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%; 99%
• Empirical Formula (Hill Notation): C11H11NO

DETAILS

Sigma Aldrich - 103292

Packaging
10 g in glass bottle