2-(dimethyl-1,3-oxazol-4-yl)ethan-1-amine

• ChemBase ID: 244116
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: n1c(c(oc1C)C)CCN
• Canonical SMILES: Cc1oc(nc1CCN)C
• InChI: InChI=1S/C7H12N2O/c1-5-7(3-4-8)9-6(2)10-5/h3-4,8H2,1-2H3
• InChIKey: WWNOHONEYODRKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,3-oxazol-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(dimethyl-1,3-oxazol-4-yl)ethanamine
• Synonyms: 2-(dimethyl-1,3-oxazol-4-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD09883535
• PubChem SID: 164300026
• PubChem CID: 24254280

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3053355
• LogD (pH = 7.4): -2.3615172
• Log P: -0.3179837
• Molar Refractivity: 39.0084 cm^3
• Polarizability: 14.973677 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.63

Product Information

• Purity: 95%