3-(2-aminopropyl)-1,3-oxazolidin-2-one hydrochloride

• ChemBase ID: 265248
• Molecular Formular: C6H13ClN2O2
• Molecular Mass: 180.63262
• Monoisotopic Mass: 180.06655535
• SMILES: C1(=O)N(CC(N)C)CCO1.Cl
• Canonical SMILES: CC(CN1CCOC1=O)N.Cl
• InChI: InChI=1S/C6H12N2O2.ClH/c1-5(7)4-8-2-3-10-6(8)9;/h5H,2-4,7H2,1H3;1H
• InChIKey: PCXNFDDUWPZUSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14705714
• PubChem SID: 164321158
• PubChem CID: 47002361

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4914098
• LogD (pH = 7.4): -2.4663978
• Log P: -0.5155788
• Molar Refractivity: 36.2825 cm^3
• Polarizability: 14.520407 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): -0.292

Product Information

• Purity: 95%