5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one hydrochloride

• ChemBase ID: 247761
• Molecular Formular: C5H11ClN2O2
• Molecular Mass: 166.60604
• Monoisotopic Mass: 166.05090528
• SMILES: C1(=O)N(CC(O1)CN)C.Cl
• Canonical SMILES: CN1CC(OC1=O)CN.Cl
• InChI: InChI=1S/C5H10N2O2.ClH/c1-7-3-4(2-6)9-5(7)8;/h4H,2-3,6H2,1H3;1H
• InChIKey: RNPAVMPXAQDZJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one hydrochloride
• IUPAC Traditional name: 5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one hydrochloride
• Synonyms: 5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one hydrochloride

Database IDs

• PubChem SID: 164303671
• PubChem CID: 71758299

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.8246012
• LogD (pH = 7.4): -2.6743798
• Log P: -0.87238675
• Molar Refractivity: 31.5339 cm^3
• Polarizability: 12.694801 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.611

Product Information

• Purity: 95%