1-bromonaphthalen-2-amine hydrochloride

• ChemBase ID: 277617
• Molecular Formular: C10H9BrClN
• Molecular Mass: 258.54216
• Monoisotopic Mass: 256.96068897
• SMILES: c1(c2c(ccc1N)cccc2)Br.Cl
• Canonical SMILES: Nc1ccc2c(c1Br)cccc2.Cl
• InChI: InChI=1S/C10H8BrN.ClH/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;/h1-6H,12H2;1H
• InChIKey: CTEYFJZONVHQCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromonaphthalen-2-amine hydrochloride
• IUPAC Traditional name: 1-bromonaphthalen-2-amine hydrochloride
• Synonyms: 1-bromonaphthalen-2-amine hydrochloride

Database IDs

• MDL Number: MFCD20233456
• PubChem SID: 164333527
• PubChem CID: 12611487

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9012508
• LogD (pH = 7.4): 2.9025328
• Log P: 2.9025493
• Molar Refractivity: 54.8314 cm^3
• Polarizability: 21.629599 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.282

Product Information

• Purity: 95%