methyl[(5-methyl-1,2-oxazol-3-yl)methyl]amine

• ChemBase ID: 30763
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: n1oc(cc1CNC)C
• Canonical SMILES: CNCc1noc(c1)C
• InChI: InChI=1S/C6H10N2O/c1-5-3-6(4-7-2)8-9-5/h3,7H,4H2,1-2H3
• InChIKey: RHCMPOAWANNSSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-methyl-1,2-oxazol-3-yl)methyl]amine
• IUPAC Traditional name: methyl[(5-methyl-1,2-oxazol-3-yl)methyl]amine
• Synonyms: N-methyl-1-(5-methyl-3-isoxazolyl)methanamine; N,5-dimethylisoxazol-3-ylmethylamine; Methyl-(5-methyl-isoxazol-3-ylmethyl)-amine; N-methyl-N-[(5-methylisoxazol-3-yl)methyl]amine

Database IDs

• CAS Number: 886851-25-8
• MDL Number: MFCD08701270
• PubChem SID: 160994070
• PubChem CID: 23006273

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1649213
• LogD (pH = 7.4): -0.4402809
• Log P: 0.17717326
• Molar Refractivity: 35.3755 cm^3
• Polarizability: 13.288211 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.242

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%