1-ethylpiperidin-3-amine dihydrochloride

• ChemBase ID: 277659
• Molecular Formular: C7H18Cl2N2
• Molecular Mass: 201.13722
• Monoisotopic Mass: 200.08470395
• SMILES: N1(CC(N)CCC1)CC.Cl.Cl
• Canonical SMILES: CCN1CCCC(C1)N.Cl.Cl
• InChI: InChI=1S/C7H16N2.2ClH/c1-2-9-5-3-4-7(8)6-9;;/h7H,2-6,8H2,1H3;2*1H
• InChIKey: ZALZJTCVUWJOAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylpiperidin-3-amine dihydrochloride
• IUPAC Traditional name: 3-piperidinamine, 1-ethyl- dihydrochloride
• Synonyms: 1-ethylpiperidin-3-amine dihydrochloride

Database IDs

• MDL Number: MFCD19982401
• PubChem SID: 164333569
• PubChem CID: 12287180

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.7383003
• LogD (pH = 7.4): -2.4741344
• Log P: 0.21555814
• Molar Refractivity: 39.8977 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.783

Product Information

• Purity: 95%