1-(2-phenylcyclopropyl)ethan-1-amine hydrochloride

• ChemBase ID: 263186
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: C1(C(C1)C(N)C)c1ccccc1.Cl
• Canonical SMILES: CC(C1CC1c1ccccc1)N.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-8(12)10-7-11(10)9-5-3-2-4-6-9;/h2-6,8,10-11H,7,12H2,1H3;1H
• InChIKey: UPYRHUJHDXQFAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenylcyclopropyl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-(2-phenylcyclopropyl)ethanamine hydrochloride
• Synonyms: 1-(2-phenylcyclopropyl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD13196002
• PubChem SID: 164319096
• PubChem CID: 45792268

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0330079
• LogD (pH = 7.4): -0.66054404
• Log P: 1.9925165
• Molar Refractivity: 50.9232 cm^3
• Polarizability: 20.311958 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172 - 174°C
• Hydrophobicity(logP): 2.026

Product Information

• Purity: 95%