2-(naphthalen-1-yl)propan-2-amine hydrochloride

• ChemBase ID: 143715
• Molecular Formular: C13H16ClN
• Molecular Mass: 221.72584
• Monoisotopic Mass: 221.0971272
• SMILES: CC(C)(c1cccc2c1cccc2)N.Cl
• Canonical SMILES: CC(c1cccc2c1cccc2)(N)C.Cl
• InChI: InChI=1S/C13H15N.ClH/c1-13(2,14)12-9-5-7-10-6-3-4-8-11(10)12;/h3-9H,14H2,1-2H3;1H
• InChIKey: ZOXOBTGYOUSMIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yl)propan-2-amine hydrochloride
• IUPAC Traditional name: 2-(naphthalen-1-yl)propan-2-amine hydrochloride
• Synonyms: 2-(1-Naphthyl)propan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD11841274
• PubChem SID: 162237932
• PubChem CID: 45595317

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.23653756
• LogD (pH = 7.4): 0.23282291
• Log P: 2.7856426
• Molar Refractivity: 60.0386 cm^3
• Polarizability: 25.085934 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C13H16ClN

DETAILS

Sigma Aldrich - CBR00816

Other Notes
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Legal Information
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