(2-cyclopropylphenyl)methanamine hydrochloride

• ChemBase ID: 799416
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: Cl.C(N)c1c(cccc1)C1CC1
• Canonical SMILES: NCc1ccccc1C1CC1.Cl
• InChI: InChI=1S/C10H13N.ClH/c11-7-9-3-1-2-4-10(9)8-5-6-8;/h1-4,8H,5-7,11H2;1H
• InChIKey: MYMBWRDFQYWEED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-cyclopropylphenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-cyclopropylphenyl)methanamine hydrochloride
• Synonyms: 2-Cyclopropylbenzenemethanamine hydrochloride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1076564
• LogD (pH = 7.4): -0.16890724
• Log P: 1.8802975
• Molar Refractivity: 46.92 cm^3
• Polarizability: 18.460348 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%