5-ethynyl-N,N-dimethylpyridin-2-amine

• ChemBase ID: 813979
• Molecular Formular: C9H10N2
• Molecular Mass: 146.1891
• Monoisotopic Mass: 146.08439833
• SMILES: n1c(ccc(c1)C#C)N(C)C
• Canonical SMILES: C#Cc1ccc(nc1)N(C)C
• InChI: InChI=1S/C9H10N2/c1-4-8-5-6-9(10-7-8)11(2)3/h1,5-7H,2-3H3
• InChIKey: PFWBEVYJTRJBSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethynyl-N,N-dimethylpyridin-2-amine
• IUPAC Traditional name: 5-ethynyl-N,N-dimethylpyridin-2-amine
• Synonyms: 5-ethynyl-N,N-dimethylpyridin-2-amine

Database IDs

• CAS Number: 754190-29-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3764052
• LogD (pH = 7.4): 1.6049641
• Log P: 1.6089101
• Molar Refractivity: 43.8155 cm^3
• Polarizability: 16.832825 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%