ethyl 1-(aminomethyl)cyclobutane-1-carboxylate hydrochloride

• ChemBase ID: 275531
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: C1(C(=O)OCC)(CN)CCC1.Cl
• Canonical SMILES: CCOC(=O)C1(CN)CCC1.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c1-2-11-7(10)8(6-9)4-3-5-8;/h2-6,9H2,1H3;1H
• InChIKey: GBEGAENNEGTOQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-(aminomethyl)cyclobutane-1-carboxylate hydrochloride
• IUPAC Traditional name: ethyl 1-(aminomethyl)cyclobutane-1-carboxylate hydrochloride
• Synonyms: ethyl 1-(aminomethyl)cyclobutane-1-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD18483101
• PubChem SID: 164331441
• PubChem CID: 53621921

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2966237
• LogD (pH = 7.4): -1.2289903
• Log P: 0.67208254
• Molar Refractivity: 42.0948 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 1.033

Product Information

• Purity: 95%