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

• ChemBase ID: 815032
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1cc(cc(c1)CNC)N
• Canonical SMILES: CNCc1cncc(c1)N
• InChI: InChI=1S/C7H11N3/c1-9-3-6-2-7(8)5-10-4-6/h2,4-5,9H,3,8H2,1H3
• InChIKey: XAKXPMXCDCUYRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(methylamino)methyl]pyridin-3-amine
• IUPAC Traditional name: 5-[(methylamino)methyl]pyridin-3-amine
• Synonyms: 5-((methylamino)methyl)pyridin-3-amine

Database IDs

• CAS Number: 1060804-30-9

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6533873
• LogD (pH = 7.4): -2.3834515
• Log P: -0.51500374
• Molar Refractivity: 41.8495 cm^3
• Polarizability: 15.776913 Å^3
• Polar Surface Area: 50.94 Å^2

PROPERTIES

Product Information

• Purity: 98%