4-hydrazinylquinazoline

• ChemBase ID: 44515
• Molecular Formular: C8H8N4
• Molecular Mass: 160.17592
• Monoisotopic Mass: 160.07489628
• SMILES: c12c(ncnc1cccc2)NN
• Canonical SMILES: NNc1ncnc2c1cccc2
• InChI: InChI=1S/C8H8N4/c9-12-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,9H2,(H,10,11,12)
• InChIKey: QVKNQXCOGYNFPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinylquinazoline
• IUPAC Traditional name: 4-hydrazinoquinazoline
• Synonyms: 4-Hydrazinoquinazoline; 4-Hydrazinoquinazoline

Database IDs

• CAS Number: 36075-44-2
• MDL Number: MFCD01219546
• PubChem SID: 162049278
• PubChem CID: 63343

CALCULATED PROPERTIES

• Acid pKa: 19.439508
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0753249
• LogD (pH = 7.4): 1.4047759
• Log P: 1.4111627
• Molar Refractivity: 48.8207 cm^3
• Polarizability: 18.628298 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%
• Empirical Formula (Hill Notation): C8H8N4

DETAILS

Sigma Aldrich - CBR00329

Other Notes
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Legal Information
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