1,2-dihydroacenaphthylen-5-amine hydrochloride

• ChemBase ID: 263070
• Molecular Formular: C12H12ClN
• Molecular Mass: 205.68338
• Monoisotopic Mass: 205.06582707
• SMILES: c12c3c(ccc1CCc2ccc3)N.Cl
• Canonical SMILES: Nc1ccc2c3c1cccc3CC2.Cl
• InChI: InChI=1S/C12H11N.ClH/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9;/h1-3,6-7H,4-5,13H2;1H
• InChIKey: PIDNLFLDFVUKPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dihydroacenaphthylen-5-amine hydrochloride
• IUPAC Traditional name: 1,2-dihydroacenaphthylen-5-amine hydrochloride
• Synonyms: 1,2-dihydroacenaphthylenamine hydrochloride

Database IDs

• MDL Number: MFCD13195959
• PubChem SID: 164318980
• PubChem CID: 22110950

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6652932
• LogD (pH = 7.4): 2.6965005
• Log P: 2.6969135
• Molar Refractivity: 55.4888 cm^3
• Polarizability: 21.893345 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.543

Product Information

• Purity: 95%