furan-2-yl(phenyl)methanamine hydrochloride

• ChemBase ID: 12976
• Molecular Formular: C11H12ClNO
• Molecular Mass: 209.67208
• Monoisotopic Mass: 209.06074169
• SMILES: NC(c1ccccc1)c1occc1.Cl
• Canonical SMILES: NC(c1ccco1)c1ccccc1.Cl
• InChI: InChI=1S/C11H11NO.ClH/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9;/h1-8,11H,12H2;1H
• InChIKey: KAVRGSABTKZCGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-yl(phenyl)methanamine hydrochloride
• IUPAC Traditional name: furan-2-yl(phenyl)methanamine hydrochloride
• Synonyms: 1-(2-Furyl)-1-phenylmethanamine hydrochloride; C-Furan-2-yl-C-phenyl-methylamine hydrochloride

Database IDs

• CAS Number: 53387-67-0
• MDL Number: MFCD07021253
• PubChem SID: 160976283
• PubChem CID: 12280962

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.16771662
• LogD (pH = 7.4): 1.4919589
• Log P: 1.9435011
• Molar Refractivity: 51.2051 cm^3
• Polarizability: 20.16083 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C11H12ClNO

DETAILS

Sigma Aldrich - CBR00765

Other Notes
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Legal Information
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