2-hydrazinylpyrazine

• ChemBase ID: 63266
• Molecular Formular: C4H6N4
• Molecular Mass: 110.11724
• Monoisotopic Mass: 110.05924621
• SMILES: c1(nccnc1)NN
• Canonical SMILES: NNc1cnccn1
• InChI: InChI=1S/C4H6N4/c5-8-4-3-6-1-2-7-4/h1-3H,5H2,(H,7,8)
• InChIKey: IVRLZJDPKUSDCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinylpyrazine
• IUPAC Traditional name: 2-hydrazinylpyrazine
• Synonyms: 2-Hydrazinopyrazine; (Pyrazin-2-yl)hydrazine

Database IDs

• CAS Number: 54608-52-5
• MDL Number: MFCD04114555
• PubChem SID: 162029005
• PubChem CID: 1487823

CALCULATED PROPERTIES

• Acid pKa: 18.176737
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.4874021
• LogD (pH = 7.4): -0.4761443
• Log P: -0.4759989
• Molar Refractivity: 31.7644 cm^3
• Polarizability: 11.112984 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108 - 110°C
• Hydrophobicity(logP): 0.123

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold/Store under Argon
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%; 98%