ethyl 2-amino-2-(oxolan-3-yl)acetate hydrochloride

• ChemBase ID: 239572
• Molecular Formular: C8H16ClNO3
• Molecular Mass: 209.67054
• Monoisotopic Mass: 209.08187106
• SMILES: C(=O)(C(C1COCC1)N)OCC.Cl
• Canonical SMILES: CCOC(=O)C(C1COCC1)N.Cl
• InChI: InChI=1S/C8H15NO3.ClH/c1-2-12-8(10)7(9)6-3-4-11-5-6;/h6-7H,2-5,9H2,1H3;1H
• InChIKey: QELGVBUXFGOEPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-amino-2-(oxolan-3-yl)acetate hydrochloride
• IUPAC Traditional name: ethyl 2-amino-2-(oxolan-3-yl)acetate hydrochloride
• Synonyms: ethyl 2-amino-2-(oxolan-3-yl)acetate hydrochloride

Database IDs

• MDL Number: MFCD22378763
• PubChem SID: 164295482
• PubChem CID: 71756437

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2804797
• LogD (pH = 7.4): -0.71026754
• Log P: -0.41404235
• Molar Refractivity: 43.8601 cm^3
• Polarizability: 17.755844 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.617

Product Information

• Purity: 95%