N,N-diethylpyrrolidin-3-amine dihydrochloride

• ChemBase ID: 48035
• Molecular Formular: C8H20Cl2N2
• Molecular Mass: 215.1638
• Monoisotopic Mass: 214.10035401
• SMILES: N1CC(N(CC)CC)CC1.Cl.Cl
• Canonical SMILES: CCN(C1CNCC1)CC.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-3-10(4-2)8-5-6-9-7-8;;/h8-9H,3-7H2,1-2H3;2*1H
• InChIKey: FZJHRPNWBMMLHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethylpyrrolidin-3-amine dihydrochloride
• IUPAC Traditional name: N,N-diethylpyrrolidin-3-amine dihydrochloride
• Synonyms: N,N-Diethyl-3-pyrrolidinamine dihydrochloride

Database IDs

• MDL Number: MFCD13561580
• PubChem SID: 162052798
• PubChem CID: 23145980

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.240121
• LogD (pH = 7.4): -2.5417979
• Log P: 0.48758382
• Molar Refractivity: 44.7763 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false