N,N,5-trimethyl-1,2-oxazol-3-amine

• ChemBase ID: 797535
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: o1nc(cc1C)N(C)C
• Canonical SMILES: Cc1onc(c1)N(C)C
• InChI: InChI=1S/C6H10N2O/c1-5-4-6(7-9-5)8(2)3/h4H,1-3H3
• InChIKey: KRUDDTPYFKELQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,5-trimethyl-1,2-oxazol-3-amine
• IUPAC Traditional name: N,N,5-trimethyl-1,2-oxazol-3-amine
• Synonyms: N,N,5-triMethylisoxazol-3-aMine

Database IDs

• CAS Number: 60148-37-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2396275
• LogD (pH = 7.4): 1.2398511
• Log P: 1.239854
• Molar Refractivity: 37.3918 cm^3
• Polarizability: 12.9072275 Å^3
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%