6-(2-aminoethyl)pyridin-2-amine

• ChemBase ID: 804471
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c(cccc1CCN)N
• Canonical SMILES: NCCc1cccc(n1)N
• InChI: InChI=1S/C7H11N3/c8-5-4-6-2-1-3-7(9)10-6/h1-3H,4-5,8H2,(H2,9,10)
• InChIKey: GQWRLOZPYJYOHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-aminoethyl)pyridin-2-amine
• IUPAC Traditional name: 6-(2-aminoethyl)pyridin-2-amine
• Synonyms: 6-(2-AMINOETHYL)PYRIDIN-2-AMINE

Database IDs

• CAS Number: 188748-16-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4706042
• LogD (pH = 7.4): -2.1989818
• Log P: -0.034641974
• Molar Refractivity: 41.5656 cm^3
• Polarizability: 15.702029 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%