1-(pyridin-2-yl)propan-1-amine dihydrochloride

• ChemBase ID: 144067
• Molecular Formular: C8H14Cl2N2
• Molecular Mass: 209.11616
• Monoisotopic Mass: 208.05340382
• SMILES: CCC(c1ccccn1)N.Cl.Cl
• Canonical SMILES: CCC(c1ccccn1)N.Cl.Cl
• InChI: InChI=1S/C8H12N2.2ClH/c1-2-7(9)8-5-3-4-6-10-8;;/h3-7H,2,9H2,1H3;2*1H
• InChIKey: ORURRAVEPLPSIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)propan-1-amine dihydrochloride
• IUPAC Traditional name: 1-(pyridin-2-yl)propan-1-amine dihydrochloride
• Synonyms: (1-Pyridin-2-ylpropyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD09028136
• PubChem SID: 162238284
• PubChem CID: 53398808

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7995725
• LogD (pH = 7.4): -0.37422568
• Log P: 1.0541004
• Molar Refractivity: 40.8702 cm^3
• Polarizability: 16.497204 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H14Cl2N2

DETAILS

Sigma Aldrich - CBR00661

Other Notes
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Legal Information
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