(2-aminoethyl)(pyridin-2-ylmethyl)amine

• ChemBase ID: 244724
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1c(CNCCN)cccc1
• Canonical SMILES: NCCNCc1ccccn1
• InChI: InChI=1S/C8H13N3/c9-4-6-10-7-8-3-1-2-5-11-8/h1-3,5,10H,4,6-7,9H2
• InChIKey: JAOSYYPULNBONK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD04355991
• PubChem SID: 164300634
• PubChem CID: 12677274

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9928846
• LogD (pH = 7.4): -2.3842578
• Log P: -0.4015897
• Molar Refractivity: 44.5767 cm^3
• Polarizability: 18.018267 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.505

Product Information

• Purity: 95%