benzyl[2-(pyrrolidin-1-yl)ethyl]amine dihydrochloride

• ChemBase ID: 272232
• Molecular Formular: C13H22Cl2N2
• Molecular Mass: 277.23318
• Monoisotopic Mass: 276.11600407
• SMILES: N1(CCNCc2ccccc2)CCCC1.Cl.Cl
• Canonical SMILES: c1ccc(cc1)CNCCN1CCCC1.Cl.Cl
• InChI: InChI=1S/C13H20N2.2ClH/c1-2-6-13(7-3-1)12-14-8-11-15-9-4-5-10-15;;/h1-3,6-7,14H,4-5,8-12H2;2*1H
• InChIKey: GTZOHQCWBRZKMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[2-(pyrrolidin-1-yl)ethyl]amine dihydrochloride
• IUPAC Traditional name: benzyl[2-(pyrrolidin-1-yl)ethyl]amine dihydrochloride
• Synonyms: benzyl[2-(pyrrolidin-1-yl)ethyl]amine dihydrochloride

Database IDs

• MDL Number: MFCD18089533
• PubChem SID: 164328142
• PubChem CID: 12389091

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5193162
• LogD (pH = 7.4): -0.20301853
• Log P: 1.9560367
• Molar Refractivity: 64.8661 cm^3
• Polarizability: 25.600357 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.402

Product Information

• Purity: 95%