N-(2-aminoethyl)pyridin-2-amine dihydrochloride

• ChemBase ID: 255374
• Molecular Formular: C7H13Cl2N3
• Molecular Mass: 210.10422
• Monoisotopic Mass: 209.04865279
• SMILES: n1c(NCCN)cccc1.Cl.Cl
• Canonical SMILES: NCCNc1ccccn1.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c8-4-6-10-7-3-1-2-5-9-7;;/h1-3,5H,4,6,8H2,(H,9,10);2*1H
• InChIKey: YJGUUWHSAANPMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03427478
• PubChem SID: 164311284
• PubChem CID: 14238461

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.1058843
• LogD (pH = 7.4): -2.132182
• Log P: 0.025825238
• Molar Refractivity: 42.3582 cm^3
• Polarizability: 15.780409 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.426

Product Information

• Purity: 95%