3-(pyridin-2-yl)propanimidamide

• ChemBase ID: 799605
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: C(=N)(CCc1ncccc1)N
• Canonical SMILES: NC(=N)CCc1ccccn1
• InChI: InChI=1S/C8H11N3/c9-8(10)5-4-7-3-1-2-6-11-7/h1-3,6H,4-5H2,(H3,9,10)
• InChIKey: RKRXUFRKLPZYBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyridin-2-yl)propanimidamide
• IUPAC Traditional name: 3-(pyridin-2-yl)propanimidamide
• Synonyms: 3-(pyridin-2-yl)propanimidamide

Database IDs

• CAS Number: 887578-66-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4425092
• LogD (pH = 7.4): -2.4402854
• Log P: -0.025308128
• Molar Refractivity: 53.8022 cm^3
• Polarizability: 16.738028 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%