N,N,4-trimethylpyridin-2-amine

• ChemBase ID: 795932
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1c(cc(cc1)C)N(C)C
• Canonical SMILES: Cc1ccnc(c1)N(C)C
• InChI: InChI=1S/C8H12N2/c1-7-4-5-9-8(6-7)10(2)3/h4-6H,1-3H3
• InChIKey: WODKXQZRQNZRDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,4-trimethylpyridin-2-amine
• IUPAC Traditional name: N,N,4-trimethylpyridin-2-amine
• Synonyms: N,N,4-trimethylpyridin-2-amine

Database IDs

• CAS Number: 20173-72-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6463239
• LogD (pH = 7.4): 1.7270657
• Log P: 1.9714962
• Molar Refractivity: 43.6844 cm^3
• Polarizability: 16.02089 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%