1-(2-aminoethoxy)-1-methylcyclobutane hydrochloride

• ChemBase ID: 241881
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: C1(OCCN)(CCC1)C.Cl
• Canonical SMILES: NCCOC1(C)CCC1.Cl
• InChI: InChI=1S/C7H15NO.ClH/c1-7(3-2-4-7)9-6-5-8;/h2-6,8H2,1H3;1H
• InChIKey: NWEIWOQKJPWOOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-1-methylcyclobutane hydrochloride
• IUPAC Traditional name: 1-(2-aminoethoxy)-1-methylcyclobutane hydrochloride
• Synonyms: 1-(2-aminoethoxy)-1-methylcyclobutane hydrochloride

Database IDs

• MDL Number: MFCD22565948
• PubChem SID: 164297791
• PubChem CID: 71756898

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4647372
• LogD (pH = 7.4): -1.4883876
• Log P: 0.5182755
• Molar Refractivity: 37.4127 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128 - 130°C
• Hydrophobicity(logP): 0.76

Product Information

• Purity: 95%