N,2-dimethylpyridin-4-amine

• ChemBase ID: 248893
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1c(cc(NC)cc1)C
• Canonical SMILES: CNc1ccnc(c1)C
• InChI: InChI=1S/C7H10N2/c1-6-5-7(8-2)3-4-9-6/h3-5H,1-2H3,(H,8,9)
• InChIKey: HCUFKIUYBRJORR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13175371
• PubChem SID: 164304803
• PubChem CID: 20651425

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0887597
• LogD (pH = 7.4): -0.9206724
• Log P: 0.3597217
• Molar Refractivity: 38.6864 cm^3
• Polarizability: 14.173898 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): 1.615

Product Information

• Purity: 95%