6-[(methylamino)methyl]pyridin-3-amine

• ChemBase ID: 815031
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1cc(ccc1CNC)N
• Canonical SMILES: CNCc1ccc(cn1)N
• InChI: InChI=1S/C7H11N3/c1-9-5-7-3-2-6(8)4-10-7/h2-4,9H,5,8H2,1H3
• InChIKey: ZHPQBBSVQGNAPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(methylamino)methyl]pyridin-3-amine
• IUPAC Traditional name: 6-[(methylamino)methyl]pyridin-3-amine
• Synonyms: 6-((methylamino)methyl)pyridin-3-amine

Database IDs

• CAS Number: 1060804-27-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.2804298
• LogD (pH = 7.4): -1.6296246
• Log P: -0.43353185
• Molar Refractivity: 41.3273 cm^3
• Polarizability: 15.777707 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%