2-chloro-6-hydrazinylpyrazine

• ChemBase ID: 255084
• Molecular Formular: C4H5ClN4
• Molecular Mass: 144.5623
• Monoisotopic Mass: 144.02027386
• SMILES: n1c(NN)cncc1Cl
• Canonical SMILES: NNc1cncc(n1)Cl
• InChI: InChI=1S/C4H5ClN4/c5-3-1-7-2-4(8-3)9-6/h1-2H,6H2,(H,8,9)
• InChIKey: FEDQSVIJHNBUHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-hydrazinylpyrazine
• IUPAC Traditional name: 2-chloro-6-hydrazinylpyrazine
• Synonyms: 2-chloro-6-hydrazinopyrazine

Database IDs

• CAS Number: 63286-29-3
• MDL Number: MFCD09049072
• PubChem SID: 164310994
• PubChem CID: 12693185

CALCULATED PROPERTIES

• Acid pKa: 17.702227
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.3446552
• LogD (pH = 7.4): 0.3479145
• Log P: 0.34822294
• Molar Refractivity: 37.6305 cm^3
• Polarizability: 13.125563 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): 0.589

Product Information

• Purity: 95%