1-cyclopropyl-2-phenylethan-1-amine hydrochloride

• ChemBase ID: 277140
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: C1(CC1)C(Cc1ccccc1)N.Cl
• Canonical SMILES: NC(C1CC1)Cc1ccccc1.Cl
• InChI: InChI=1S/C11H15N.ClH/c12-11(10-6-7-10)8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8,12H2;1H
• InChIKey: SGVSCQQPZCEEEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-2-phenylethan-1-amine hydrochloride
• IUPAC Traditional name: 1-cyclopropyl-2-phenylethanamine hydrochloride
• Synonyms: 1-cyclopropyl-2-phenylethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD19686336
• PubChem SID: 164333050
• PubChem CID: 54594512

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.79268754
• LogD (pH = 7.4): -0.28689116
• Log P: 2.2280197
• Molar Refractivity: 50.8986 cm^3
• Polarizability: 20.312275 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): 2.186

Product Information

• Purity: 95%