ethyl 1-(aminomethyl)cyclobutane-1-carboxylate

• ChemBase ID: 289106
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: O=C(C1(CN)CCC1)OCC
• Canonical SMILES: CCOC(=O)C1(CN)CCC1
• InChI: InChI=1S/C8H15NO2/c1-2-11-7(10)8(6-9)4-3-5-8/h2-6,9H2,1H3
• InChIKey: GPEFDMPXVMDHKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 911060-83-8
• MDL Number: MFCD11858336
• PubChem SID: 180674637
• PubChem CID: 45122079

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

Product Information

• Purity: 95+%