1-(quinolin-5-yl)guanidine hydrochloride

• ChemBase ID: 123030
• Molecular Formular: C10H11ClN4
• Molecular Mass: 222.67414
• Monoisotopic Mass: 222.06722405
• SMILES: C(=N)(Nc1c2c(nccc2)ccc1)N.Cl
• Canonical SMILES: NC(=N)Nc1cccc2c1cccn2.Cl
• InChI: InChI=1S/C10H10N4.ClH/c11-10(12)14-9-5-1-4-8-7(9)3-2-6-13-8;/h1-6H,(H4,11,12,14);1H
• InChIKey: DZUKIJGOSIQWHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(quinolin-5-yl)guanidine hydrochloride
• IUPAC Traditional name: 1-(quinolin-5-yl)guanidine hydrochloride
• Synonyms: 1-(quinolin-5-yl)guanidine hydrochloride

Database IDs

• PubChem SID: 162217383
• PubChem CID: 12253736

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.3157676
• LogD (pH = 7.4): -1.1223445
• Log P: 1.1048934
• Molar Refractivity: 66.1131 cm^3
• Polarizability: 21.803411 Å^3
• Polar Surface Area: 74.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl