ethyl 2-(1-aminocyclohexyl)acetate

• ChemBase ID: 307215
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: C(C(=O)OCC)C1(N)CCCCC1
• Canonical SMILES: CCOC(=O)CC1(N)CCCCC1
• InChI: InChI=1S/C10H19NO2/c1-2-13-9(12)8-10(11)6-4-3-5-7-10/h2-8,11H2,1H3
• InChIKey: BSOAERDQHDFUHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(1-aminocyclohexyl)acetate
• IUPAC Traditional name: ethyl 2-(1-aminocyclohexyl)acetate
• Synonyms: ethyl (1-aminocyclohexyl)acetate

Database IDs

• CAS Number: 696645-77-9
• MDL Number: MFCD03421666

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6956056
• LogD (pH = 7.4): -1.0054871
• Log P: 1.3152784
• Molar Refractivity: 51.1243 cm^3
• Polarizability: 20.710838 Å^3
• Polar Surface Area: 52.32 Å^2