[1-(4-nitrophenyl)cyclopropyl]methanamine

• ChemBase ID: 806826
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: C(N)C1(CC1)c1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: NCC1(CC1)c1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C10H12N2O2/c11-7-10(5-6-10)8-1-3-9(4-2-8)12(13)14/h1-4H,5-7,11H2
• InChIKey: MKZDCGZJAOPNMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-nitrophenyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(4-nitrophenyl)cyclopropyl]methanamine
• Synonyms: [1-(4-NITROPHENYL)CYCLOPROPYL]METHANAMINE

Database IDs

• CAS Number: 561297-86-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3692853
• LogD (pH = 7.4): -0.34657696
• Log P: 1.6069074
• Molar Refractivity: 52.6744 cm^3
• Polarizability: 20.272676 Å^3
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%