6-(bromomethyl)-2-methylquinoline

• ChemBase ID: 74064
• Molecular Formular: C11H10BrN
• Molecular Mass: 236.1078
• Monoisotopic Mass: 234.99966133
• SMILES: n1c2ccc(cc2ccc1C)CBr
• Canonical SMILES: BrCc1ccc2c(c1)ccc(n2)C
• InChI: InChI=1S/C11H10BrN/c1-8-2-4-10-6-9(7-12)3-5-11(10)13-8/h2-6H,7H2,1H3
• InChIKey: OTZHQYZZYJSBOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(bromomethyl)-2-methylquinoline
• IUPAC Traditional name: 6-(bromomethyl)-2-methylquinoline
• Synonyms: 6-(Bromomethyl)-2-methyl-1-azanaphthalene; 6-(Bromomethyl)-2-methylquinoline

Database IDs

• CAS Number: 141848-60-4
• MDL Number: MFCD06658974
• PubChem SID: 162038983
• PubChem CID: 2795480

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8879611
• LogD (pH = 7.4): 3.0327964
• Log P: 3.035008
• Molar Refractivity: 57.4212 cm^3
• Polarizability: 23.103205 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92.5-94°C

Safety Information

• Storage Warning: Corrosive/Toxic/Harmful/Air Sensitive/Store under Argon

Product Information

• Purity: 97%