12-methyl-1,4-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-2,4,9(16),10,12,14-hexaene hydrochloride

• ChemBase ID: 54799
• Molecular Formular: C15H15ClN2
• Molecular Mass: 258.746
• Monoisotopic Mass: 258.09237617
• SMILES: n12c3c(c4c1ccc(c4)C)CCCc3ncc2.Cl
• Canonical SMILES: Cc1ccc2c(c1)c1CCCc3c1n2ccn3.Cl
• InChI: InChI=1S/C15H14N2.ClH/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13;/h5-9H,2-4H2,1H3;1H
• InChIKey: NUZIMYNKWLHGEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 12-methyl-1,4-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-2,4,9(16),10,12,14-hexaene hydrochloride
• IUPAC Traditional name: 12-methyl-1,4-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-2,4,9(16),10,12,14-hexaene hydrochloride
• Synonyms: 8-Methyl-5,6-dihydro-4H-pyrazino-[3,2,1-jk]carbazole hydrochloride

Database IDs

• MDL Number: MFCD00443500
• PubChem SID: 162059562
• PubChem CID: 204212

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8051417
• LogD (pH = 7.4): 2.8059776
• Log P: 2.805988
• Molar Refractivity: 69.8101 cm^3
• Polarizability: 27.979132 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false