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

• ChemBase ID: 262213
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: N1C(C(N)C)CCC1.Cl.Cl
• Canonical SMILES: CC(C1CCCN1)N.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c1-5(7)6-3-2-4-8-6;;/h5-6,8H,2-4,7H2,1H3;2*1H
• InChIKey: HOKCXHNGBASJOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12913096
• PubChem SID: 164318123
• PubChem CID: 45791999

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.3694916
• LogD (pH = 7.4): -3.6048238
• Log P: -0.10772272
• Molar Refractivity: 34.2732 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.078

Product Information

• Purity: 95%