3-[2-(methylamino)ethyl]-1,3-oxazolidin-2-one hydrochloride

• ChemBase ID: 239513
• Molecular Formular: C6H13ClN2O2
• Molecular Mass: 180.63262
• Monoisotopic Mass: 180.06655535
• SMILES: C1(=O)N(CCO1)CCNC.Cl
• Canonical SMILES: CNCCN1CCOC1=O.Cl
• InChI: InChI=1S/C6H12N2O2.ClH/c1-7-2-3-8-4-5-10-6(8)9;/h7H,2-5H2,1H3;1H
• InChIKey: WFHNFLOIOYXRKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(methylamino)ethyl]-1,3-oxazolidin-2-one hydrochloride
• IUPAC Traditional name: 3-[2-(methylamino)ethyl]-1,3-oxazolidin-2-one hydrochloride
• Synonyms: 3-[2-(methylamino)ethyl]-1,3-oxazolidin-2-one hydrochloride

Database IDs

• MDL Number: MFCD22378754
• PubChem SID: 164295423
• PubChem CID: 71756423

CALCULATED PROPERTIES

• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6798728
• LogD (pH = 7.4): -2.626054
• Log P: -0.4995734
• Molar Refractivity: 36.6383 cm^3
• Polarizability: 14.520407 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.315

Product Information

• Purity: 95%