(4-methyl-1,3-benzoxazol-2-yl)methanamine

• ChemBase ID: 308104
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: n1c2c(oc1CN)cccc2C
• Canonical SMILES: NCc1oc2c(n1)c(C)ccc2
• InChI: InChI=1S/C9H10N2O/c1-6-3-2-4-7-9(6)11-8(5-10)12-7/h2-4H,5,10H2,1H3
• InChIKey: HPABFBCXEHCNFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methyl-1,3-benzoxazol-2-yl)methanamine
• IUPAC Traditional name: (4-methyl-1,3-benzoxazol-2-yl)methanamine
• Synonyms: 1-(4-methyl-1,3-benzoxazol-2-yl)methanamine

Database IDs

• CAS Number: 1177323-15-7
• MDL Number: MFCD09971258

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7596122
• LogD (pH = 7.4): 0.77400184
• Log P: 1.0322217
• Molar Refractivity: 45.5647 cm^3
• Polarizability: 18.97118 Å^3
• Polar Surface Area: 52.05 Å^2