3-(4-chlorophenyl)oxetan-3-amine

• ChemBase ID: 800592
• Molecular Formular: C9H10ClNO
• Molecular Mass: 183.6348
• Monoisotopic Mass: 183.04509163
• SMILES: O1CC(C1)(N)c1ccc(cc1)Cl
• Canonical SMILES: NC1(COC1)c1ccc(cc1)Cl
• InChI: InChI=1S/C9H10ClNO/c10-8-3-1-7(2-4-8)9(11)5-12-6-9/h1-4H,5-6,11H2
• InChIKey: FQUPJAVDXIORJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-chlorophenyl)oxetan-3-amine
• IUPAC Traditional name: 3-(4-chlorophenyl)oxetan-3-amine
• Synonyms: 3-(4-CHLOROPHENYL)OXETAN-3-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1123947
• LogD (pH = 7.4): 0.5476648
• Log P: 1.4680942
• Molar Refractivity: 47.9705 cm^3
• Polarizability: 19.20133 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%