2-(1-methylhydrazin-1-yl)quinoxaline

• ChemBase ID: 86070
• Molecular Formular: C9H10N4
• Molecular Mass: 174.2025
• Monoisotopic Mass: 174.09054634
• SMILES: n1c(cnc2ccccc12)N(N)C
• Canonical SMILES: CN(c1cnc2c(n1)cccc2)N
• InChI: InChI=1S/C9H10N4/c1-13(10)9-6-11-7-4-2-3-5-8(7)12-9/h2-6H,10H2,1H3
• InChIKey: NVSYEKJHPNMSTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methylhydrazin-1-yl)quinoxaline
• IUPAC Traditional name: 2-(1-methylhydrazin-1-yl)quinoxaline
• Synonyms: 2-(1-Methylhydrazino)quinoxaline

Database IDs

• CAS Number: 16621-55-9
• MDL Number: MFCD00085138
• PubChem SID: 162073186
• PubChem CID: 2797411

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2751465
• LogD (pH = 7.4): 1.3313301
• Log P: 1.3320947
• Molar Refractivity: 61.2759 cm^3
• Polarizability: 20.47854 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%