(dimethyl-1,3-oxazol-4-yl)methanamine

• ChemBase ID: 92480
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: n1c(oc(c1CN)C)C
• Canonical SMILES: NCc1nc(oc1C)C
• InChI: InChI=1S/C6H10N2O/c1-4-6(3-7)8-5(2)9-4/h3,7H2,1-2H3
• InChIKey: VZLPNCZDDQNCNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dimethyl-1,3-oxazol-4-yl)methanamine
• IUPAC Traditional name: (dimethyl-1,3-oxazol-4-yl)methanamine
• Synonyms: (2,5-dimethyl-1,3-oxazol-4-yl)methylamine; (2,5-Dimethyl-1,3-oxazol-4-yl)methylamine; 4-(Aminomethyl)-2,5-dimethyl-1,3-oxazole 97%

Database IDs

• CAS Number: 859850-62-7
• MDL Number: MFCD08271883
• PubChem SID: 162079178
• PubChem CID: 16658924

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0517204
• LogD (pH = 7.4): -1.3692466
• Log P: -0.55499643
• Molar Refractivity: 34.309 cm^3
• Polarizability: 13.2113905 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 36-38°C/0.1mm

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%