1-(4-nitrophenyl)cyclobutan-1-amine

• ChemBase ID: 800513
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: C1(CCC1)(N)c1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: NC1(CCC1)c1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C10H12N2O2/c11-10(6-1-7-10)8-2-4-9(5-3-8)12(13)14/h2-5H,1,6-7,11H2
• InChIKey: ZJRQRRUUGNADQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-nitrophenyl)cyclobutan-1-amine
• IUPAC Traditional name: 1-(4-nitrophenyl)cyclobutan-1-amine
• Synonyms: 1-(4-NITROPHENYL)CYCLOBUTANAMINE

Database IDs

• CAS Number: 1260672-25-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1193398
• LogD (pH = 7.4): -0.2165391
• Log P: 1.8729004
• Molar Refractivity: 52.5537 cm^3
• Polarizability: 20.346424 Å^3
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%