5-[4-(dimethylamino)phenyl]pyridin-2-amine

• ChemBase ID: 814580
• Molecular Formular: C13H15N3
• Molecular Mass: 213.2783
• Monoisotopic Mass: 213.1265975
• SMILES: n1c(ccc(c1)c1ccc(cc1)N(C)C)N
• Canonical SMILES: Nc1ccc(cn1)c1ccc(cc1)N(C)C
• InChI: InChI=1S/C13H15N3/c1-16(2)12-6-3-10(4-7-12)11-5-8-13(14)15-9-11/h3-9H,1-2H3,(H2,14,15)
• InChIKey: GQQZKJLMUQSQFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(dimethylamino)phenyl]pyridin-2-amine
• IUPAC Traditional name: 5-[4-(dimethylamino)phenyl]pyridin-2-amine
• Synonyms: 5-(4-(dimethylamino)phenyl)pyridin-2-amine

Database IDs

• CAS Number: 503536-77-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3800567
• LogD (pH = 7.4): 2.2385023
• Log P: 2.276374
• Molar Refractivity: 68.4798 cm^3
• Polarizability: 26.406778 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%