[(dimethyl-1,2-oxazol-4-yl)methyl](methyl)amine

• ChemBase ID: 33069
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: c1(c(onc1C)C)CNC
• Canonical SMILES: CNCc1c(C)noc1C
• InChI: InChI=1S/C7H12N2O/c1-5-7(4-8-3)6(2)10-9-5/h8H,4H2,1-3H3
• InChIKey: KUSBHINLXPYBKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(dimethyl-1,2-oxazol-4-yl)methyl](methyl)amine
• IUPAC Traditional name: [(dimethyl-1,2-oxazol-4-yl)methyl](methyl)amine
• Synonyms: 1-(3,5-dimethyl-4-isoxazolyl)-N-methylmethanamine; N-[(3,5-Dimethylisoxazol-4-yl)methyl]-N-methylamine

Database IDs

• CAS Number: 893641-32-2
• MDL Number: MFCD08701362
• PubChem SID: 160996376
• PubChem CID: 23006353

CALCULATED PROPERTIES

• LogD (pH = 5.5): -2.6951525
• LogD (pH = 7.4): -1.0936782
• Log P: 0.22707154
• Molar Refractivity: 40.4892 cm^3
• Polarizability: 15.045702 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.073

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%