6-(2-aminoethyl)pyridin-3-amine

• ChemBase ID: 815038
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1cc(ccc1CCN)N
• Canonical SMILES: NCCc1ccc(cn1)N
• InChI: InChI=1S/C7H11N3/c8-4-3-7-2-1-6(9)5-10-7/h1-2,5H,3-4,8-9H2
• InChIKey: YQOWTBVOCAFIPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-aminoethyl)pyridin-3-amine
• IUPAC Traditional name: 6-(2-aminoethyl)pyridin-3-amine
• Synonyms: 6-(2-aminoethyl)pyridin-3-amine

Database IDs

• CAS Number: 215099-43-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6665244
• LogD (pH = 7.4): -2.8465598
• Log P: -0.6290995
• Molar Refractivity: 41.2521 cm^3
• Polarizability: 15.701733 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%