1-(4-methoxyphenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 88552
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: NC1(c2ccc(cc2)OC)CC1.Cl
• Canonical SMILES: COc1ccc(cc1)C1(N)CC1.Cl
• InChI: InChI=1S/C10H13NO.ClH/c1-12-9-4-2-8(3-5-9)10(11)6-7-10;/h2-5H,6-7,11H2,1H3;1H
• InChIKey: XHLTUMCCYQMGGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(4-methoxyphenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 1-Amino-1-(4-methoxyphenyl)cyclopropane hydrochloride; 4-(1-Aminocycloprop-1-yl)anisole hydrochloride; 1-(4-Methoxyphenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD09028129
• PubChem SID: 162104624
• PubChem CID: 53256964

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6658766
• LogD (pH = 7.4): -0.8030066
• Log P: 1.3306762
• Molar Refractivity: 48.0954 cm^3
• Polarizability: 19.17395 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198 - 200°C
• Hydrophobicity(logP): 1.357

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 95%