2-(2-methylphenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 278354
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: C1(CC1N)c1c(C)cccc1.Cl
• Canonical SMILES: NC1CC1c1ccccc1C.Cl
• InChI: InChI=1S/C10H13N.ClH/c1-7-4-2-3-5-8(7)9-6-10(9)11;/h2-5,9-10H,6,11H2,1H3;1H
• InChIKey: DVIHPGKSYOCXCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylphenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2-methylphenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-(2-methylphenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD19982550
• PubChem SID: 164334264
• PubChem CID: 53536953

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1478152
• LogD (pH = 7.4): -0.3213873
• Log P: 1.8523039
• Molar Refractivity: 46.7378 cm^3
• Polarizability: 18.382357 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 202 - 204°C
• Hydrophobicity(logP): 1.927

Product Information

• Purity: 95%