1-(2,6-dichlorophenyl)pyrrolidin-2-imine hydrochloride

• ChemBase ID: 256026
• Molecular Formular: C10H11Cl3N2
• Molecular Mass: 265.56674
• Monoisotopic Mass: 263.9987814
• SMILES: N1(c2c(Cl)cccc2Cl)C(=N)CCC1.Cl
• Canonical SMILES: N=C1CCCN1c1c(Cl)cccc1Cl.Cl
• InChI: InChI=1S/C10H10Cl2N2.ClH/c11-7-3-1-4-8(12)10(7)14-6-2-5-9(14)13;/h1,3-4,13H,2,5-6H2;1H
• InChIKey: UGOLKZXYPLWVOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,6-dichlorophenyl)pyrrolidin-2-imine hydrochloride
• IUPAC Traditional name: 1-(2,6-dichlorophenyl)pyrrolidin-2-imine hydrochloride
• Synonyms: 1-(2,6-dichlorophenyl)pyrrolidin-2-imine hydrochloride

Database IDs

• MDL Number: MFCD03091071
• PubChem SID: 164311936
• PubChem CID: 16237517

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0393077
• LogD (pH = 7.4): 2.5299034
• Log P: 2.8296428
• Molar Refractivity: 70.1327 cm^3
• Polarizability: 22.600883 Å^3
• Polar Surface Area: 27.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 217 - 219°C
• Hydrophobicity(logP): 0.0

Product Information

• Purity: 95%