1-(pyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline dihydrochloride

• ChemBase ID: 48059
• Molecular Formular: C13H20Cl2N2
• Molecular Mass: 275.2173
• Monoisotopic Mass: 274.10035401
• SMILES: N1(c2c(CCC1)cccc2)C1CCNC1.Cl.Cl
• Canonical SMILES: C1NCC(C1)N1CCCc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C13H18N2.2ClH/c1-2-6-13-11(4-1)5-3-9-15(13)12-7-8-14-10-12;;/h1-2,4,6,12,14H,3,5,7-10H2;2*1H
• InChIKey: FUCHHMIKWDKMDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline dihydrochloride
• IUPAC Traditional name: 1-(pyrrolidin-3-yl)-3,4-dihydro-2H-quinoline dihydrochloride
• Synonyms: 1-(3-Pyrrolidinyl)-1,2,3,4-tetrahydroquinoline dihydrochloride

Database IDs

• MDL Number: MFCD13561604
• PubChem SID: 162052822
• PubChem CID: 56831622

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0845454
• LogD (pH = 7.4): -0.6958273
• Log P: 2.1495452
• Molar Refractivity: 63.6882 cm^3
• Polarizability: 24.376598 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false