ethyl 2-[1-(methylamino)cyclohexyl]acetate hydrochloride

• ChemBase ID: 278828
• Molecular Formular: C11H22ClNO2
• Molecular Mass: 235.75088
• Monoisotopic Mass: 235.13390663
• SMILES: C(C(=O)OCC)C1(NC)CCCCC1.Cl
• Canonical SMILES: CCOC(=O)CC1(NC)CCCCC1.Cl
• InChI: InChI=1S/C11H21NO2.ClH/c1-3-14-10(13)9-11(12-2)7-5-4-6-8-11;/h12H,3-9H2,1-2H3;1H
• InChIKey: PMVYGFJFVNOEBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[1-(methylamino)cyclohexyl]acetate hydrochloride
• IUPAC Traditional name: ethyl 2-[1-(methylamino)cyclohexyl]acetate hydrochloride
• Synonyms: ethyl 2-[1-(methylamino)cyclohexyl]acetate hydrochloride

Database IDs

• MDL Number: MFCD20233533
• PubChem SID: 164334738
• PubChem CID: 53626254

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4730085
• LogD (pH = 7.4): -0.7990298
• Log P: 1.7478589
• Molar Refractivity: 55.8989 cm^3
• Polarizability: 22.55125 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.456

Product Information

• Purity: 95%