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

• ChemBase ID: 262890
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: N1(CCN)CCCC1.Cl.Cl
• Canonical SMILES: NCCN1CCCC1.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c7-3-6-8-4-1-2-5-8;;/h1-7H2;2*1H
• InChIKey: WOLQUSMPBPVMQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-1-yl)ethan-1-amine dihydrochloride
• IUPAC Traditional name: 1-pyrrolidineethanamine dihydrochloride
• Synonyms: 2-(Pyrrolidin-1-yl)ethanamine dihydrochloride; 2-(pyrrolidin-1-yl)ethan-1-amine dihydrochloride

Database IDs

• CAS Number: 65592-36-1
• MDL Number: MFCD11053712
• PubChem SID: 164318800
• PubChem CID: 45792189

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.153675
• LogD (pH = 7.4): -2.8958197
• Log P: -0.20101687
• Molar Refractivity: 35.4789 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 137°C
• Hydrophobicity(logP): 0.324

Product Information

• Purity: 95%; 95+%