4-bromo-2-methylnaphthalen-1-amine

• ChemBase ID: 238402
• Molecular Formular: C11H10BrN
• Molecular Mass: 236.1078
• Monoisotopic Mass: 234.99966133
• SMILES: c1(c2c(c(cc1C)Br)cccc2)N
• Canonical SMILES: Cc1cc(Br)c2c(c1N)cccc2
• InChI: InChI=1S/C11H10BrN/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,13H2,1H3
• InChIKey: NXEWBYGPFNJONP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-methylnaphthalen-1-amine
• IUPAC Traditional name: 4-bromo-2-methylnaphthalen-1-amine
• Synonyms: 4-bromo-2-methylnaphthalen-1-amine

Database IDs

• MDL Number: MFCD22378604
• PubChem SID: 164294312
• PubChem CID: 263224

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4126723
• LogD (pH = 7.4): 3.4159288
• Log P: 3.4159706
• Molar Refractivity: 59.8726 cm^3
• Polarizability: 23.386873 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 3.681

Product Information

• Purity: 95%