1-(pyridin-3-yl)cyclobutan-1-amine

• ChemBase ID: 804347
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: C1(CCC1)(N)c1cnccc1
• Canonical SMILES: NC1(CCC1)c1cccnc1
• InChI: InChI=1S/C9H12N2/c10-9(4-2-5-9)8-3-1-6-11-7-8/h1,3,6-7H,2,4-5,10H2
• InChIKey: QATGFCHERVPRDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-3-yl)cyclobutan-1-amine
• IUPAC Traditional name: 1-(pyridin-3-yl)cyclobutan-1-amine
• Synonyms: 1-(PYRIDIN-3-YL)CYCLOBUTANAMINE

Database IDs

• CAS Number: 1212058-02-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.274534
• LogD (pH = 7.4): -1.3352028
• Log P: 0.71524376
• Molar Refractivity: 44.0763 cm^3
• Polarizability: 17.602842 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%