6-hydrazinylphenanthridine

• ChemBase ID: 57460
• Molecular Formular: C13H11N3
• Molecular Mass: 209.24654
• Monoisotopic Mass: 209.09529737
• SMILES: c1ccc2c(c1)nc(c1c2cccc1)NN
• Canonical SMILES: NNc1nc2ccccc2c2c1cccc2
• InChI: InChI=1S/C13H11N3/c14-16-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H,14H2,(H,15,16)
• InChIKey: VODJTROQLRJXHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydrazinylphenanthridine
• IUPAC Traditional name: 6-hydrazinylphenanthridine
• Synonyms: 6-Hydrazinophenanthridine

Database IDs

• CAS Number: 144402-92-6
• MDL Number: MFCD01106300
• PubChem SID: 162062223
• PubChem CID: 5130352

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3477937
• LogD (pH = 7.4): 2.4481478
• Log P: 3.1064773
• Molar Refractivity: 66.4497 cm^3
• Polarizability: 27.19755 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false