2-(piperidin-1-yl)ethan-1-amine dihydrochloride

• ChemBase ID: 290119
• Molecular Formular: C7H18Cl2N2
• Molecular Mass: 201.13722
• Monoisotopic Mass: 200.08470395
• SMILES: NCCN1CCCCC1.Cl.Cl
• Canonical SMILES: NCCN1CCCCC1.Cl.Cl
• InChI: InChI=1S/C7H16N2.2ClH/c8-4-7-9-5-2-1-3-6-9;;/h1-8H2;2*1H
• InChIKey: PPWONLVBRFSCTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)ethan-1-amine dihydrochloride
• IUPAC Traditional name: 2-(piperidin-1-yl)ethanamine dihydrochloride
• Synonyms: 2-(Piperidin-1-yl)ethanamine dihydrochloride

Database IDs

• CAS Number: 100911-49-7
• MDL Number: MFCD01701506
• PubChem SID: 180675650
• PubChem CID: 3063450

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.588164
• LogD (pH = 7.4): -2.294534
• Log P: 0.24355179
• Molar Refractivity: 40.0799 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%